SCHEMBL7845633

SCHEMBL7845633

COCCOC(Cc1ccc2[nH]cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c2c1)CN(C)CC#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 1/20 0.45
PYGL P06737 1/20 0.44
POLB P06746 3/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL7858074 0.86 NHERF1 (0.54) NHERF1PYGLPOLBADORA2AADORA1
SCHEMBL7845733 0.76 PYGL (0.48) NHERF1PYGLPOLBADORA2AADORA1
SCHEMBL7848276 0.74 KDM4E (0.46) PYGLPOLBKDM4EHSD17B10MAPT
SCHEMBL7842334 0.74 NHERF1 (0.58) NHERF1POLBADORA2AADORA1LMNA
SCHEMBL6670721 0.73 NHERF1 (0.55) NHERF1POLBADORA2AADORA1LMNA
SCHEMBL6230550 0.72 NHERF1 (0.68) NHERF1PYGLPOLBADORA2AADORA1
SCHEMBL7845627 0.72 KDM4E (0.44) PYGLPOLBLMNAKDM4EHSD17B10
SCHEMBL7834741 0.72 KDM4E (0.45) PYGLPOLBKDM4EHSD17B10MAPT
SCHEMBL7834823 0.72 NHERF1 (0.60) NHERF1POLBADORA2AADORA1MAPT
Hydrochloric Acid SCHEMBL6206076 0.72 NHERF1 (0.67) NHERF1PYGLPOLBADORA2AADORA1

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