SCHEMBL7290347

SCHEMBL7290347

CCCCCCc1cnc([C]=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.42
▸ RARB P10826 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL27329523 0.83 KCNH2 (0.56) KCNH2MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL21503704 0.83 KCNH2 (0.42) KCNH2MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL5436769 0.81 KCNH2 (0.52) KCNH2MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL12829587 0.77 KCNH2 (0.50) KCNH2MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL27731599 0.77 KCNH2 (0.48) KCNH2MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL27698233 0.75 KCNH2 (0.47) KCNH2MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL24844740 0.75 GABRP (0.36) KCNH2ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL4685973 0.74 KCNH2 (0.47) KCNH2MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL22341560 0.74 KCNH2 (0.47) KCNH2MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL19309229 0.74 KCNH2 (0.47) KCNH2MAPTALDH1A1RAB9ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1036394-C Process for preparing quinolone derivatives OTSUKA PHARMA CO LTD (JP) 1997-11-12 — — CN disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 — — US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 — — US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 — — EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 — — EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 — — WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 — — US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 — — EP disclosed
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