SCHEMBL11279766

SCHEMBL11279766

N#Cc1ccc(C(O)Cn2ccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.67
HMOX1 P09601 1/20 0.62
CYP51A1 Q16850 1/20 0.58
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
TBXAS1 P24557 1/20 0.52
ADRA2C P18825 1/20 0.47

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
SCHEMBL6978491 0.86 TBXAS1 (0.57) CYP19A1HMOX1CYP11B1CYP11B2TBXAS1
SCHEMBL11703283 0.84 CYP19A1 (0.63) CYP19A1HMOX1CYP11B1CYP11B2TBXAS1
SCHEMBL6979413 0.83 CYP19A1 (0.55) CYP19A1HMOX1CYP11B1CYP11B2TBXAS1
SCHEMBL28947590 0.82 CYP19A1 (0.54) CYP19A1HMOX1CYP11B1CYP11B2TBXAS1
SCHEMBL10932073 0.81 CYP19A1 (0.73) CYP19A1HMOX1CYP51A1CYP11B1ADRA2C
SCHEMBL7562437 0.80 CYP19A1 (0.72) CYP19A1HMOX1CYP51A1
SCHEMBL11983140 0.80 CYP19A1 (0.72) CYP19A1HMOX1CYP51A1CYP11B1CYP11B2
SCHEMBL4313095 0.80 CYP19A1 (0.72) CYP19A1HMOX1CYP51A1CYP11B1CYP11B2
SCHEMBL11266884 0.80 CYP19A1 (0.72) CYP19A1HMOX1CYP51A1CYP11B1CYP11B2
SCHEMBL6299999 0.80 CYP19A1 (0.72) CYP19A1HMOX1CYP51A1

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-4349556-A Pesticidally active 1-acyloxy-1-phenyl-2-azolyl-ethanes BAYER AKTIENGESELLSCHAFT (DE) 1982-09-14 US disclosed