SCHEMBL39593

SCHEMBL39593

[c]1occc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 3/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
SLC6A4 P31645 1/20 0.32
TDO2 P48775 1/20 0.30

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
SCHEMBL5348133 0.78
SCHEMBL5535944 0.76 NPC1 (0.37) ALDH1A1LMNATP53NPC1RAB9A
SCHEMBL3788123 0.76 ALDH1A1 (0.43) ALDH1A1MEN1TP53KMT2ATDP1
SCHEMBL5541945 0.74 TAAR1 (0.41) ALDH1A1MEN1LMNATP53KMT2A
SCHEMBL3790377 0.74 MAOA (0.47) ALDH1A1MEN1LMNAKMT2A
SCHEMBL4702413 0.74 NPC1 (0.41) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL5538900 0.72 KIF11 (0.43) ALDH1A1
SCHEMBL11228525 0.72 ALDH1A1 (0.44) ALDH1A1MAPK1MEN1LMNATP53
SCHEMBL290676 0.71 IMPDH2 (0.32)
SCHEMBL5104622 0.69 CYP1A2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047801-A KRAS inhibitor compound, pharmaceutical composition and application thereof 广东东阳光药业股份有限公司 2024-05-17 CN claimed
CN-115385955-A Tetrabiarylphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
CN-115385957-A Linear terphenyl aryl phosphine ligand and transition metal complex thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
CN-115028539-A Arylamine derivative and organic electroluminescent device using same 江苏三月科技股份有限公司 2022-09-09 CN claimed
CN-109962166-B Organic electroluminescent device and preparation method thereof 固安鼎材科技有限公司 2022-06-07 CN claimed
CN-114516804-A Diamine derivative and organic electroluminescent device using same 江苏三月科技股份有限公司 2022-05-20 CN claimed
US-RE48841-E1 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-12-07 US claimed
CN-109824671-B Quinazoline triazole derivative and application thereof in organic electroluminescence field 北京鼎材科技有限公司 2020-11-13 CN claimed
CN-108727389-B Pyrene derivative and application thereof in organic luminescent material 北京鼎材科技有限公司 2020-09-18 CN claimed
WO-1992018127-A1 USE OF SIGMA RECEPTOR ANTAGONISTS TO ENHANCE THE EFFECTS OF ANTIPSYCHOTIC DRUGS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-10-29 WO claimed
EP-0497843-A4 (N-PHTHALIMIDOALKYL) PIPERIDINES 1992-09-23 EP claimed
WO-1992014463-A1 USE OF SIGMA RECEPTOR ANTAGONISTS FOR TREATMENT OF AMPHETAMINE ABUSE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-09-03 WO claimed
WO-1992014464-A1 USE OF SIGMA RECEPTOR ANTAGONISTS FOR TREATMENT OF COCAINE ABUSE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-09-03 WO claimed
EP-0497843-A1 (N-PHTHALIMIDOALKYL) PIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-08-12 EP claimed
WO-1991006297-A1 (N-PHTHALIMIDOALKYL) PIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-05-16 WO claimed
US-5011827-A Elaiophyline derivatives, compositions containing them and the use thereof as anthelmintic agents HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-30 US claimed
US-4914090-A Ophthalmic compositions SCHERING CORPORATION (US) 1990-04-03 US claimed
EP-0161211-A1 N-heterocyclosulfonyl-N'-pyrimidinyl and -triazinyl ureas CIBA-GEIGY AG (CH) 1985-11-13 EP claimed
US-4500494-A POLYUREA OR UREA-FORMALDEHYDE SHELLS CONTAINING DIKETONE, 8-HYDROXYQUINOLINE OR OXIME STAUFFER CHEMICAL COMPANY (US) 1985-02-19 US claimed