SCHEMBL4679533

SCHEMBL4679533

COC(=O)CNC(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.55
MEN1 O00255 6/20 0.55
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 2/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MTOR P42345 1/20 0.50
RAB9A P51151 1/20 0.50
GRM7 Q14831 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL7446250 0.84 NPSR1 (0.60) KMT2AMEN1TDP1LMNASMN1; SMN2
SCHEMBL2408159 0.84 APAF1 (0.57) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL6809830 0.84 APAF1 (0.57) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL2408156 0.84 APAF1 (0.57) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL10620736 0.83 KCNA5 (0.51) KMT2AMEN1GAATSHRLMNA
SCHEMBL3547381 0.83 TDP1 (0.48) KMT2AMEN1TSHRTDP1LMNA
SCHEMBL1768929 0.82 KMT2A (0.46) KMT2AMEN1GAATSHRLMNA
Methylene Chloride SCHEMBL28217271 0.80 NPSR1 (0.57) KMT2AMEN1TDP1LMNASMN1; SMN2
SCHEMBL2793715 0.80 GRM7 (0.58) KMT2AMEN1TSHRTDP1LMNA
SCHEMBL29045009 0.80 ALDH1A1 (0.54) KMT2AMEN1GAATDP1SMN1; SMN2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939841-B Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-4- (3-chlorophenyl) butyric acid 康化(上海)新药研发有限公司 2024-06-07 CN claimed
CN-117903045-A Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-3- [4- (2-pyridine) phenyl ] propionic acid 康化(上海)新药研发有限公司 2024-04-19 CN claimed
CN-116606223-A Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-6, 6-dimethyl N-heptanoic acid 康化(上海)新药研发有限公司 2023-08-18 CN claimed
CN-112939841-B Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-4- (3-chlorophenyl) butyric acid 康化(上海)新药研发有限公司 2024-06-07 CN disclosed
CN-112939841-B Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-4- (3-chlorophenyl) butyric acid 康化(上海)新药研发有限公司 2024-06-07 CN disclosed
CN-117903045-A Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-3- [4- (2-pyridine) phenyl ] propionic acid 康化(上海)新药研发有限公司 2024-04-19 CN disclosed
CN-117903045-A Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-3- [4- (2-pyridine) phenyl ] propionic acid 康化(上海)新药研发有限公司 2024-04-19 CN disclosed
CN-116606223-A Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-6, 6-dimethyl N-heptanoic acid 康化(上海)新药研发有限公司 2023-08-18 CN disclosed
CN-116606223-A Synthesis method of (2S) -2-N-fluorenylmethoxycarbonyl amino-6, 6-dimethyl N-heptanoic acid 康化(上海)新药研发有限公司 2023-08-18 CN disclosed
CN-115260060-A Synthesis method of (2S) -2-N-fluorenylmethoxycarbonylamino-5, 5-dimethyl norleucine 康化(上海)新药研发有限公司 2022-11-01 CN disclosed
CN-111448199-A Novel highly active amino-thiazole-substituted indole-2-carboxamides having activity against Hepatitis B Virus (HBV) 艾库里斯有限及两合公司 2020-07-24 CN disclosed
EP-0945448-B1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES (JP) 2008-11-26 EP disclosed
US-6020496-A 5-alkoxy-2(3H)-oxazolone compounds and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2000-02-01 US disclosed
EP-0945448-A1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES, LTD. (JP) 1999-09-29 EP disclosed
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed
EP-0037271-B1 INDOLE DERIVATIVES AND PROCESS FOR PREPARING THE SAME TORAY INDUSTRIES, INC. (JP) 1984-01-18 EP disclosed