SCHEMBL5019608

SCHEMBL5019608

CC1=C(c2ccc(C(=O)Nc3c(F)cccc3F)cc2)CN(c2nnn(C)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTR1F P30939 1/20 0.36
▸ CRACR2A Q9BSW2 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL5019741 0.88 CRACR2A (0.38) TP53RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL987243 0.85 IL2 (0.43) TP53RAB9AKMT2AMEN1NPC1
SCHEMBL17375135 0.83 GRM5 (0.38) RAB9ASMN1; SMN2KMT2AKDM4ENPC1
SCHEMBL5019609 0.83 AVPR2 (0.42) TP53RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5019638 0.83 KMT2A (0.41) TP53RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL5019598 0.83 IL2 (0.40) RAB9AKMT2AMEN1KDM4ENPC1
SCHEMBL1781817 0.83 KMT2A (0.50) TP53RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5019753 0.82 IL2 (0.39) RAB9ASMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL5019637 0.82 KMT2A (0.41) TP53RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5005018 0.80 IL2 (0.41) TP53RAB9ASMN1; SMN2KMT2AMEN1

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-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 — — WO disclosed
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