SCHEMBL29239307

SCHEMBL29239307

CC(C(=O)O)c1ccc(Cn2ccnc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.66
CYP19A1 P11511 5/20 0.58
CYP11B1 P15538 3/20 0.56
CYP11B2 P19099 3/20 0.56
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
QPCT Q16769 1/20 0.55
CYP4Z1 Q86W10 1/20 0.55
QPCTL Q9NXS2 1/20 0.55

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
SCHEMBL29239314 0.84 TBXAS1 (0.57) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL10223314 0.82 CYP11B1 (0.69) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL10848277 0.80 TBXAS1 (1.00) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL9193417 0.78 TBXAS1 (0.54) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL14464035 0.78 CYP11B1 (0.61) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL1024261 0.78 CYP11B1 (0.84) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL4492287 0.77 CYP19A1 (0.75) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL29239316 0.77 TBXAS1 (0.72) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
Benzylimidazole SCHEMBL16236718 0.77 TBXAS1 (0.80) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
Oxalic Acid SCHEMBL11534580 0.76 CYP19A1 (0.81) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2

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
CN-118005563-A N-benzyl imidazole derivative and preparation method and application thereof 中国药科大学 2024-05-10 CN disclosed