SCHEMBL7347407

SCHEMBL7347407

O=C(c1ccc([N+](=O)[O-])cc1)N1CCSc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.59
NOTUM Q6P988 1/20 0.55
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
P2RX4 Q99571 1/20 0.49
AVPR2 P30518 1/20 0.47
AVPR1A P37288 1/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL7348893 0.93 BCHE (0.56) BCHENOTUMALDH1A1KDM4EP2RX4
SCHEMBL14977169 0.85 TDP1 (0.50) BCHENOTUMALDH1A1SMN1; SMN2MAPT
SCHEMBL7352710 0.81 NOTUM (0.60) NOTUMALDH1A1KDM4EP2RX4AVPR2
SCHEMBL6968459 0.81 BCHE (0.56) BCHEALDH1A1P2RX4HPGDSMN1; SMN2
SCHEMBL7358103 0.80 HPGD (0.51) BCHEALDH1A1P2RX4HPGDSMN1; SMN2
SCHEMBL10047949 0.79 KMT2A (0.65) BCHEALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8559583 0.78 BCHE (0.67) BCHEALDH1A1P2RX4AVPR2AVPR1A
SCHEMBL7346502 0.76 BCHE (0.51) BCHEALDH1A1P2RX4HPGDSMN1; SMN2
SCHEMBL7352388 0.75 ALDH1A1 (0.69) ALDH1A1AVPR2AVPR1ASMN1; SMN2MAPT
SCHEMBL7355012 0.74 BCHE (0.49) BCHEALDH1A1P2RX4HPGDSMN1; 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-1048484-C A process for preparing a composition containing benzoheterocycles OTSUKA PHARMA CO LTD (JP) 2000-01-19 CN disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
CN-1107146-A A process for preparing a composition containing benzoheterocycles OTSUKA PHARMA CO LTD (JP) 1995-08-23 CN disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
CN-1051038-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1991-05-01 CN disclosed