SCHEMBL7499608

SCHEMBL7499608

O=c1[nH]c2ccccc2cc1-c1nnn[nH]1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.60
PDGFRB P09619 1/20 0.60
FGFR1 P11362 1/20 0.60
CHEK1 O14757 1/20 0.55
BRD4 O60885 1/20 0.46
DAO P14920 1/20 0.46
DDO Q99489 1/20 0.46
CDK5 Q00535 7/20 0.46
CDK5R1 Q15078 7/20 0.46
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7502200 0.81 KDR (0.40) KDRPDGFRBFGFR1CHEK1DAO
SCHEMBL9252121 0.81 DAO (0.50) KDRPDGFRBFGFR1CHEK1DAO
SCHEMBL10691644 0.81 DAO (0.50) KDRPDGFRBFGFR1CHEK1DAO
SCHEMBL10692090 0.78 DAO (0.52) KDRPDGFRBFGFR1DAO
SCHEMBL10692085 0.78 DAO (0.52) KDRPDGFRBFGFR1DAOKDM4E
SCHEMBL10686471 0.78 KDR (0.37) KDRPDGFRBFGFR1CHEK1DAO
SCHEMBL7503986 0.78 IDH1 (0.43) KDRPDGFRBFGFR1CHEK1KDM4E
Water SCHEMBL10691885 0.78 KDM4E (0.42) KDRPDGFRBFGFR1BRD4KDM4E
SCHEMBL5361594 0.78 RAB9A (0.50) KDRCHEK1KDM4ENPC1ALDH1A1
SCHEMBL7502994 0.77 DAO (0.41) KDRPDGFRBFGFR1CHEK1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4735948-A (1H-tetrazol-5-yl)-2(1H)-quinolinones and-naphthyridones and antiallergic use thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1988-04-05 US claimed
EP-0120483-B1 (1H-TETRAZOL-5-YL)-2(1H)-QUINOLINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 EP claimed
EP-0120483-A1 (1H-tetrazol-5-yl)-2(1H)-quinolinones MERRELL DOW PHARMACEUTICALS INC. (US) 1984-10-03 EP claimed
EP-0905133-B1 Tetrazole derivatives as LTD4 and H1 antagonists KOWA CO (JP) 2002-04-24 EP disclosed
US-6121286-A ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, FOR TREATING ASTHMA; COMPOUNDS SUCH AS 6-METHOXY-3-(2-(3-(2-QUINOLYLMETHOXY)BENZYL)TETRAZOLYL)QUINOLIN-2-ONE KOWA CO., LTD. (JP) 2000-09-19 US disclosed
US-6117886-A EXCELLENT ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, AND IS USEFUL FOR THE PREVENTION AND TREATMENT OF, FOR EXAMPLE, ASTHMA. KOWA CO., LTD. (JP) 2000-09-12 US disclosed
EP-0905133-A1 Tetrazole derivatives as LTD4 and H1 antagonists KOWA CO. LTD. (JP) 1999-03-31 EP disclosed
US-4735948-A (1H-tetrazol-5-yl)-2(1H)-quinolinones and-naphthyridones and antiallergic use thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1988-04-05 US disclosed
EP-0120483-B1 (1H-TETRAZOL-5-YL)-2(1H)-QUINOLINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 EP disclosed
EP-0120483-A1 (1H-tetrazol-5-yl)-2(1H)-quinolinones MERRELL DOW PHARMACEUTICALS INC. (US) 1984-10-03 EP disclosed