SCHEMBL7853531

SCHEMBL7853531

N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4ncc[nH]4)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SNCA P37840 13/20 0.47
F10 P00742 1/20 0.46
MAPT P10636 2/20 0.44
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK14 Q16539 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
SCHEMBL7230466 0.83 SNCA (0.47) SNCAMAPTCDK4CCND1ACHE
SCHEMBL7231199 0.83 SNCA (0.49) SNCAMAPTCDK4CCND1ACHE
SCHEMBL7222957 0.83 SNCA (0.46) SNCAMAPT
SCHEMBL7852192 0.83 F10 (0.56) SNCAF10CDK4CCND1KDM4E
SCHEMBL7229732 0.83 SNCA (0.47) SNCAMAPTCDK4CCND1ACHE
SCHEMBL7224298 0.83 CDK4 (0.54) SNCAF10MAPTCDK4CCND1
SCHEMBL7223332 0.82 SNCA (0.49) SNCAMAPT
SCHEMBL7225068 0.82 SNCA (0.49) SNCAMAPTCDK4CCND1ACHE
SCHEMBL7222941 0.81 SNCA (0.47) SNCAF10MAPTCDK4CCND1
SCHEMBL7230428 0.81 SNCA (0.46) SNCAMAPTCDK4CCND1ACHE

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 disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed