SCHEMBL11375367

SCHEMBL11375367

O=C(CCn1ccnc1)c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.64
CYP19A1 P11511 3/20 0.56
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
EGLN3 Q9H6Z9 1/20 0.53
HMOX1 P09601 1/20 0.52

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
SCHEMBL3255191 0.89 TBXAS1 (0.78) TBXAS1CYP19A1EGLN3
Hydrochloric Acid SCHEMBL411527 0.87 TBXAS1 (0.76) TBXAS1CYP19A1EGLN3
SCHEMBL11373689 0.86 TBXAS1 (0.67) TBXAS1CYP19A1CYP11B1CYP11B2EGLN3
SCHEMBL11131296 0.86 CYP19A1 (0.70) TBXAS1CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL9996128 0.85 CYP19A1 (0.69) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11266038 0.84 TBXAS1 (0.62) TBXAS1CYP19A1HMOX1
SCHEMBL11001125 0.84 TBXAS1 (0.67) TBXAS1CYP19A1EGLN3HMOX1
SCHEMBL9850492 0.83 TBXAS1 (0.56) TBXAS1CYP19A1EGLN3
SCHEMBL11153260 0.83 TBXAS1 (0.62) TBXAS1CYP19A1CYP11B1CYP11B2EGLN3
SCHEMBL11240853 0.82 TBXAS1 (0.57) TBXAS1EGLN3

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
US-4275071-A Imidazole derivatives RECORDATI S.A. (CH) 1981-06-23 US claimed