SCHEMBL23652898

SCHEMBL23652898

C=CC(=O)Nc1ccc(C)cc1NN

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.53
▸ HPGD P15428 1/20 0.49
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ FGFR1 P11362 2/20 0.43
▸ FGFR4 P22455 2/20 0.43
▸ MAPK3 P27361 11/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GSTO1 P78417 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL18256266 0.90 TGM2 (0.59) TGM2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL17524715 0.85 TGM2 (0.54) TGM2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL15939027 0.82 TGM2 (0.54) TGM2HPGDGAAMAPTSMN1; SMN2
SCHEMBL15938644 0.82 TGM2 (0.54) TGM2HPGDGAAMAPTSMN1; SMN2
SCHEMBL31162390 0.81 TGM2 (0.58) TGM2CYP1A2CYP2C19GAAMAPT
SCHEMBL31162339 0.81 MEN1 (0.61) TGM2HPGDMAPTSMN1; SMN2MEN1
SCHEMBL21894170 0.81 TGM2 (0.58) TGM2CYP1A2CYP2C19GAAMAPT
SCHEMBL5078477 0.81 MEN1 (0.61) TGM2HPGDMAPTSMN1; SMN2MEN1
SCHEMBL17522185 0.81 TGM2 (0.50) TGM2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL23652894 0.81 TGM2 (0.53) TGM2CYP2C19MAPK3ALDH1A1

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
EP-2968337-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2021-07-21 — — EP disclosed
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