SCHEMBL7846679

SCHEMBL7846679

O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccc(CCN3CC(O)C3)cc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 1/20 0.52
MAPT P10636 4/20 0.49
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 4/20 0.49
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
F2 P00734 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL6667519 0.87 NHERF1 (0.52) NHERF1MAPTRXFP1POLBADORA2A
SCHEMBL6670300 0.85 NHERF1 (0.50) NHERF1MAPTRXFP1POLBADORA2A
SCHEMBL7834823 0.83 NHERF1 (0.60) NHERF1MAPTPOLBADORA2AADORA1
SCHEMBL7845700 0.78 NHERF1 (0.61) NHERF1MAPTPOLBADORA2AADORA1
SCHEMBL6204818 0.77 NHERF1 (0.59) NHERF1MAPTRXFP1POLBADORA2A
SCHEMBL6670721 0.77 NHERF1 (0.55) NHERF1MAPTPOLBADORA2AADORA1
SCHEMBL6818435 0.76 POLB (0.67) NHERF1POLBADORA2AADORA1SMN1; SMN2
SCHEMBL6204128 0.76 NHERF1 (0.68) NHERF1MAPTRXFP1POLBADORA2A
SCHEMBL6230550 0.76 NHERF1 (0.68) NHERF1MAPTPOLBADORA2AADORA1
SCHEMBL6205197 0.76 POLB (0.61) NHERF1MAPTPOLBSMN1; SMN2NPC1

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