SCHEMBL21181012

SCHEMBL21181012

CCc1ccc(/C=C/C(=O)n2ccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.59
TBXAS1 P24557 4/20 0.51
CYP1A2 P05177 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP2C19 P33261 2/20 0.51
USP2 O75604 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HTT P42858 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP24A1 Q07973 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL23285244 0.84 MAOB (0.56) MAOBTBXAS1CYP1A2LMNAMEN1
SCHEMBL19054880 0.83 MAOB (0.53) MAOBTBXAS1CYP1A2LMNAMEN1
SCHEMBL22416556 0.82 TYR (0.49) MAOBTBXAS1CYP1A2LMNAMEN1
SCHEMBL4715046 0.81 MAOB (0.56) MAOBTBXAS1CYP1A2LMNAMEN1
SCHEMBL1186024 0.81 CYP24A1 (0.54) TBXAS1CYP1A2LMNAMEN1KMT2A
SCHEMBL5201692 0.81 CYP24A1 (0.54) TBXAS1CYP1A2LMNAMEN1KMT2A
SCHEMBL3363375 0.81 HSD17B3 (0.54) MAOBTBXAS1CYP1A2MEN1KMT2A
SCHEMBL14375119 0.81 CYP1A2 (0.55) CYP1A2MEN1KMT2ACYP2C19CYP3A4
SCHEMBL16765774 0.81 CYP1A2 (0.55) CYP1A2MEN1KMT2ACYP2C19CYP3A4
SCHEMBL18374566 0.80 TBXAS1 (0.49) MAOBTBXAS1CYP1A2LMNAMEN1

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-3514145-A1 IMIDAZOLE COMPOUND, METAL SURFACE TREATMENT LIQUID, METAL SURFACE TREATMENT METHOD, AND LAMINATE PRODUCTION METHOD Tokyo Ohka Kogyo Co., Ltd. (JP) 2019-07-24 EP disclosed