SCHEMBL9360263

SCHEMBL9360263

O=c1[nH]c(-c2ccnc3ccccc23)co1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
IDO1 P14902 1/20 0.46
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
PTK2B Q14289 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ESR1 P03372 1/20 0.44
ACVR1 Q04771 8/20 0.44
AURKA O14965 1/20 0.44
TTK P33981 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
TGFBR1 P36897 4/20 0.43
BMPR1B O00238 1/20 0.43

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
SCHEMBL15074582 0.77 NPC1 (0.57) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL8570718 0.74 KDM4E (0.51) KDM4E
SCHEMBL3749102 0.73 KDM4E (0.54) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL27917128 0.72 CYP1A2 (0.60) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL1227713 0.72 CYP1A2 (0.60) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL29699887 0.72 CYP1A2 (0.60) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL30487734 0.70 CYP1A2 (0.58) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL905288 0.69 LMNA (0.50) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL15070838 0.69 GSK3B (0.61) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL7413882 0.69 ACVR1 (0.47) NPC1RAB9AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365863-B1 Novel quinolyloxazole-2-ones useful as proteinkinase C inhibitors MERRELL DOW PHARMA (US) 1994-08-17 EP disclosed
EP-0428105-B1 Use of quinolyl- and isoquinolyloxazole-2-ones for the production of a medicament for the prevention of glycoprotein enveloped virus infectivity MERRELL DOW PHARMA (US) 1994-01-19 EP disclosed
EP-0428107-B1 Use of quinolyl-and isoquinolyloxanole-2-ones for the production of a medicament for the treatment of multi-drug resistant tumors MERRELL DOW PHARMA (US) 1994-01-19 EP disclosed
US-5190957-A TREATMENT OF MULTI-DRUG RESISTANT TUMORS WITH QUINOLYL-AND ISOQUINOLYLOXAZOLE-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-02 US disclosed
US-5061715-A Useful in treating AIDS and ARC MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-29 US disclosed
EP-0428107-A2 Use of quinolyl-and isoquinolyloxanole-2-ones for the production of a medicament for the treatment of multi-drug resistant tumors MERRELL DOW PHARMACEUTICALS INC. (US) 1991-05-22 EP disclosed
EP-0428105-A2 Use of quinolyl- and isoquinolyloxazole-2-ones for the production of a medicament for the prevention of glycoprotein enveloped virus infectivity MERRELL DOW PHARMACEUTICALS INC. (US) 1991-05-22 EP disclosed
US-4999431-A Reacting A Bromoquinoline Compound With Butyllithium And An N-Methyl-N-Methoxyalkanamide; Intermediates for Quinolyloxazole-2-ones MERRELL DOW PHARMACEUTICALS (US) 1991-03-12 US disclosed
US-4990519-A Antiasthma, hypotensive agents, bronchodilator agents MERRELL DOW PHARMACEUTICALS (US) 1991-02-05 US disclosed
EP-0365863-A2 Novel quinolyloxazole-2-ones useful as proteinkinase C inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-05-02 EP disclosed
US-4886811-A HYPOTENSIVE AGENTS AND VASODILATORS MERRELL DOW PHARMACEUTICALS (US) 1989-12-12 US disclosed