SCHEMBL212774

SCHEMBL212774

O=CNc1ccc(-c2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
DEGS1 O15121 1/20 0.43
WNT3A P56704 1/20 0.43
ALDH1A1 P00352 1/20 0.42
USP30 Q70CQ3 3/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2360146 0.84 TEK (0.49) WNT3A
SCHEMBL2320060 0.84 DEGS1 (0.45) DEGS1ALDH1A1NPC1NFKB1RAB9A
SCHEMBL2360453 0.84 WNT3A (0.42) WNT3AALDH1A1NPC1NFKB1RAB9A
SCHEMBL2327132 0.82 WNT3A (0.47) WNT3AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21935795 0.81 CYP2A6 (0.47) WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL2320835 0.80 FLT1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2359971 0.80 KIF11 (0.43) DEGS1NPC1RAB9A
SCHEMBL2321384 0.80 DEGS1 (0.41) DEGS1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2325030 0.80 DEGS1 (0.48) DEGS1WNT3AALDH1A1NPC1RAB9A
SCHEMBL2318871 0.78 ABL1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2

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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed