SCHEMBL2321608

SCHEMBL2321608

Cc1cc(C(=O)c2ccc(C(F)(F)F)cc2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.49
▸ DAO P14920 1/20 0.49
▸ HCAR2 Q8TDS4 1/20 0.49
▸ SRD5A2 P31213 2/20 0.47
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ IGFBP3 P17936 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MAP2K4 P45985 2/20 0.40
▸ MAPK6 Q16659 2/20 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
SCHEMBL28875184 0.76 HCAR2 (0.72) DAOHCAR2NPC1RAB9AMEN1
SCHEMBL2319788 0.75 MAPT (0.54) DAOHCAR2SRD5A2CES1MEN1
SCHEMBL14637850 0.74 DHODH (0.47) DHODHDAOHCAR2NPC1RAB9A
SCHEMBL14637852 0.74 DHODH (0.47) DHODHDAOHCAR2NPC1RAB9A
SCHEMBL30591798 0.73 SRD5A2 (0.51) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL648641 0.72 SRD5A2 (0.83) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL9776264 0.71 SRD5A2 (0.68) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL14044077 0.71 DAO (0.50) DAOHCAR2NPC1RAB9AMEN1
SCHEMBL28558518 0.70 SRD5A2 (0.61) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL15686207 0.70 SRD5A2 (0.61) SRD5A2CES2CES1NPC1RAB9A

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
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