SCHEMBL7847010

SCHEMBL7847010

CN(CCS(=O)(=O)O)C(=O)CCCCCCC(=O)OCC#Cc1ccc2[nH]cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c2c1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
MAPT P10636 4/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 4/20 0.32
NHERF1 O14745 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL7841969 0.82 MAPT (0.38) ADORA2AADORA1MAPTRXFP1POLB
SCHEMBL6699653 0.74 MEN1 (0.41) MAPTRXFP1LMNATP53
SCHEMBL6701229 0.72 MAPT (0.48) MAPTRXFP1POLBLMNATP53
SCHEMBL6198743 0.71 EGLN1 (0.35)
SCHEMBL6693517 0.71 MEN1 (0.42) MAPTRXFP1LMNA
SCHEMBL6199424 0.71 EGLN1 (0.35)
SCHEMBL6200529 0.70 NR3C1 (0.33) LMNA
SCHEMBL6200835 0.69 NR3C1 (0.33) LMNA
SCHEMBL6699650 0.69 MEN1 (0.42) MAPTRXFP1LMNATP53
SCHEMBL6697945 0.67 MEN1 (0.43) MAPTRXFP1LMNATP53

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