SCHEMBL7858072

SCHEMBL7858072

COCCOCCN(Cc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccc(CO)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 1/20 0.46
CFTR P13569 1/20 0.44
PYGL P06737 1/20 0.42
NHERF1 O14745 3/20 0.41
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL7834426 0.93 HSD17B10 (0.46) HSD17B10KMT2ACFTRPYGLGABRA1
SCHEMBL7845316 0.92 HSD17B10 (0.44) HSD17B10KMT2ACFTRPYGLGABRA1
SCHEMBL7845731 0.91 HSD17B10 (0.44) HSD17B10KMT2ACFTRPYGLGABRA1
SCHEMBL7846115 0.89 HSD17B10 (0.42) HSD17B10KMT2ACFTRPYGLGABRA1
SCHEMBL7845627 0.87 KDM4E (0.44) HSD17B10KMT2ACFTRPYGLGABRA1
SCHEMBL7846612 0.86 HSD17B10 (0.41) HSD17B10KMT2ACFTRPYGLGABRA1
SCHEMBL6667769 0.85 ALDH1A1 (0.43) HSD17B10KMT2AKDM4EALDH1A1GLA
SCHEMBL7848275 0.85 ALDH1A1 (0.43) HSD17B10KMT2AKDM4EALDH1A1GLA
SCHEMBL7842187 0.84 CFTR (0.42) HSD17B10KMT2ACFTRGABRA1GABRB2
SCHEMBL7834362 0.83 KMT2A (0.40) HSD17B10KMT2ACFTRNHERF1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed