SCHEMBL9016883

SCHEMBL9016883

O=[N+]([O-])c1ccccc1-n1ccnc1S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MET P08581 1/20 0.39
▸ HTT P42858 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL31213128 0.81 ALDH1A1 (0.61) HCAR1ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL11411912 0.79 HCAR1 (0.45) HCAR1ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL7981240 0.76 KMT2A (0.48) HCAR1ALDH1A1KDM4EMAPTHTT
SCHEMBL8027450 0.75 HCAR1 (0.50) HCAR1ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL8081306 0.72 MAPT (0.50) ALDH1A1KDM4EMAPTL3MBTL1SMN1; SMN2
SCHEMBL8699160 0.71 ALDH1A1 (0.42) HCAR1ALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL9402020 0.71 KMT2A (0.45) ALDH1A1MAPTHTTKMT2AGAA
SCHEMBL7279344 0.70 THRB (0.48) ALDH1A1KDM4EMAPTL3MBTL1SMN1; SMN2
SCHEMBL8653890 0.70 FGFR1 (0.53) ALDH1A1KDM4EMAPTFGFR1KMT2A
SCHEMBL4453426 0.69 KMT2A (0.44) HCAR1ALDH1A1MAPTL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1046277-C Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1999-11-10 — — CN disclosed
US-5541198-A ANTISTICKING AGENTS FOR PLATELETS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-30 — — US disclosed
EP-0651747-B1 CARBOSTYRYL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-03-27 — — EP disclosed
EP-0651747-A1 CARBOSTYRIL DERIVATIVES. OTSUKA PHARMA CO LTD (JP) 1995-05-10 — — EP disclosed
WO-1994026732-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 — — WO disclosed
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