SCHEMBL2324670

SCHEMBL2324670

Cc1ccc(-n2nc(C=O)cc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
CYP2A6 P11509 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
AHR P35869 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL2517751 0.86 MAPK1 (0.51) NPC1RAB9ACYP1A2CYP2C19RIPK1
SCHEMBL2324520 0.83 CYP1A2 (0.49) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1739359 0.80 L3MBTL1 (0.47) ALDH1A1L3MBTL1
Methylene Chloride SCHEMBL6533812 0.80 MAPK1 (0.47) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL1738878 0.79 RAB9A (0.50) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL7669152 0.78 HSD17B10 (0.41) MAPTSMN1; SMN2TP53ALDH1A1NPSR1
SCHEMBL10169870 0.75 MAPT (0.61) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL20696983 0.75 CYP2A6 (0.45) MAPTRAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL21834055 0.74 NPC1 (0.54) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9349368 0.74 CCKAR (0.54)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed