SCHEMBL687935

SCHEMBL687935

COC(=O)CN=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
FAAH O00519 1/20 0.42
PLA2G7 Q13093 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6118220 1.00 LMNA (0.52) LMNACA2CA1MEN1KMT2A
SCHEMBL3384931 1.00 LMNA (0.52) LMNACA2CA1MEN1KMT2A
SCHEMBL28360448 0.84 LMNA (0.45) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL29154325 0.84 LMNA (0.45) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL1973580 0.84 MEN1 (0.53) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL2617527 0.84 MEN1 (0.53) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL1973579 0.84 MEN1 (0.53) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL23345343 0.83 KMT2A (0.58) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL19020191 0.83 HPGD (0.47) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL1769121 0.83 KMT2A (0.58) MEN1KMT2ARAB9ANPC1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116924973-A Preparation method of 3-chloro-2-aminomethyl-5-trifluoromethyl pyridine hydrochloride 天津均凯农业科技有限公司 2023-10-24 CN claimed
US-5380849-A Process for optically pure decahydroisoqiunolines MERCK & CO., INC. (US) 1995-01-10 US claimed
WO-1994011345-A1 PROCESS FOR OPTICALLY PURE DECAHYDROISOQUINOLINES MERCK & CO., INC. (US) 1994-05-26 WO claimed
CN-117551025-A Preparation method of 4, 4-dicyano-2-alkyl-pyrrolidine-2-carboxylic ester derivative 华北水利水电大学 2024-02-13 CN disclosed
CN-116924973-A Preparation method of 3-chloro-2-aminomethyl-5-trifluoromethyl pyridine hydrochloride 天津均凯农业科技有限公司 2023-10-24 CN disclosed
CN-116924973-A Preparation method of 3-chloro-2-aminomethyl-5-trifluoromethyl pyridine hydrochloride 天津均凯农业科技有限公司 2023-10-24 CN disclosed
CN-113461690-B Synthesis method of chiral 4,6-dioxooctahydropyrrolo [3,4-c ] pyrrole-1-carboxylate compound 中国科学院大连化学物理研究所 2023-03-31 CN disclosed
CN-110577485-B Norcamphor derived [2, 1] -bridged ring ketene compounds and synthesis method and application thereof 武汉大学 2022-11-04 CN disclosed
CN-114940661-A Norcamphor derived [2,2,1] -bridged ketene compounds and synthesis method and application thereof 武汉大学 2022-08-26 CN disclosed
CN-113461690-A Synthesis method of chiral 4, 6-dioxooctahydropyrrolo [3,4-c ] pyrrole-1-carboxylic ester compound 中国科学院大连化学物理研究所 2021-10-01 CN disclosed
CN-110669046-B Polysubstituted tetrahydro-gamma-carboline derivative with multiple chiral centers and preparation method of stereo diversity of polysubstituted tetrahydro-gamma-carboline derivative 武汉大学 2021-07-06 CN disclosed
EP-0625987-A1 AMINOACETYLMERCAPTOACETYLAMIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1994-11-30 EP disclosed
WO-1994011345-A1 PROCESS FOR OPTICALLY PURE DECAHYDROISOQUINOLINES MERCK & CO., INC. (US) 1994-05-26 WO disclosed
WO-1993016103-A1 AMINOACETYLMERCAPTOACETYLAMIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-19 WO disclosed
EP-0534396-A2 2-Substituted indane-2-carboxyalkyl derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1993-03-31 EP disclosed
EP-0534492-A2 Carboxyalkyl substituted inhibitors of enkephalinase and ACE MERRELL PHARMACEUTICALS INC. (US) 1993-03-31 EP disclosed
EP-0534363-A2 Novel 2-substituted indane-2-mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1993-03-31 EP disclosed
WO-1992014740-A1 QUINOXALINE PHOSPHONO-AMINO ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-03 WO disclosed
US-5118675-A Therapy for central nervous system disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-02 US disclosed
EP-0481522-A1 Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1992-04-22 EP disclosed