SCHEMBL7845733

SCHEMBL7845733

COCCOC(CNC(=O)c1c[nH]c2ccc(CSC)cc2c1=O)Cc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.48
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NHERF1 O14745 2/20 0.41
MAPK1 P28482 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRB2 P47870 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL7848276 0.84 KDM4E (0.46) PYGLKDM4EHSD17B10POLBMAPT
SCHEMBL7858074 0.82 NHERF1 (0.54) PYGLKDM4ELMNAHSD17B10NHERF1
SCHEMBL7834741 0.82 KDM4E (0.45) PYGLKDM4EHSD17B10POLBMAPT
SCHEMBL7841393 0.79 NHERF1 (0.42) PYGLKDM4ELMNAHSD17B10NHERF1
SCHEMBL6670167 0.76 ALDH1A1 (0.49) KDM4ELMNAHSD17B10POLBMAPT
SCHEMBL7845633 0.76 NHERF1 (0.45) PYGLKDM4ELMNAHSD17B10NHERF1
SCHEMBL7848232 0.76 KCNH2 (0.46) KDM4EHSD17B10POLBMAPT
SCHEMBL7845731 0.74 HSD17B10 (0.44) PYGLKDM4ELMNAHSD17B10GABRA1
SCHEMBL6201470 0.70 ADORA2A (0.60) NHERF1ADORA2AADORA1GABRA1GABRB1
SCHEMBL7841936 0.69 NHERF1 (0.43) NHERF1ADORA2AADORA1POLB

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