SCHEMBL7857145

SCHEMBL7857145

N=C(N)c1c[nH]c2ccc(CCNC(=O)c3ccc(-c4ccccc4C(=O)O)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.47
CCND1 P24385 6/20 0.47
PPARG P37231 3/20 0.46
SNCA P37840 3/20 0.46
TRPV1 Q8NER1 1/20 0.45
F10 P00742 1/20 0.45
MAPT P10636 1/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7223277 0.86 F10 (0.52) CDK4CCND1SNCATRPV1F10
SCHEMBL7224324 0.86 CDK4 (0.47) CDK4CCND1SNCATRPV1F10
SCHEMBL7224765 0.84 MAPT (0.51) CDK4CCND1PPARGSNCATRPV1
SCHEMBL7224079 0.83 LTA4H (0.54) CDK4CCND1SNCATRPV1F10
SCHEMBL7225358 0.83 SNCA (0.52) CDK4CCND1SNCATRPV1F10
SCHEMBL7222947 0.83 SNCA (0.60) SNCAMEN1KMT2ANPC1RAB9A
SCHEMBL7224360 0.82 KMT2A (0.47) CDK4CCND1SNCATRPV1F10
SCHEMBL7231033 0.82 SNCA (0.45) CDK4CCND1SNCATRPV1F10
SCHEMBL7230814 0.82 HRH3 (0.44) SNCATRPV1ACHELMNAL3MBTL1
SCHEMBL7225859 0.82 F10 (0.54) CDK4CCND1SNCATRPV1F10

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-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP claimed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO claimed