SCHEMBL10697972

SCHEMBL10697972

CNc1cc(Cn2ccnc2)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.56
CYP11B2 P19099 9/20 0.56
CYP19A1 P11511 8/20 0.53
CYP2A6 P11509 1/20 0.50
CYP2B6 P20813 1/20 0.50
TBXAS1 P24557 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL10699120 0.89 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL79024 0.82 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL10699427 0.78 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL10581105 0.78 ALDH1A1 (0.63) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL13006744 0.77 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL10579958 0.75 ALDH1A1 (0.67) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL9663855 0.75 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL14473080 0.74 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1ALDH1A1
SCHEMBL7726168 0.74 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL1024261 0.74 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6

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-0260744-A2 (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-03-23 EP disclosed