SCHEMBL11239175

SCHEMBL11239175

O=C(Cn1ccnc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.60
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ CTSD P07339 1/20 0.47
▸ GUSB P08236 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MDM2 Q00987 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
SCHEMBL10476950 0.79 ALPG (0.58) CYP19A1CYP11B1CYP11B2CA12
SCHEMBL10878611 0.77 CA12 (0.56) CYP19A1CYP11B1CYP11B2CA12
SCHEMBL11228752 0.77 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2
SCHEMBL18788080 0.77 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2
SCHEMBL11230081 0.77 CYP11B1 (0.53) CYP19A1CYP11B1CYP11B2
SCHEMBL11276476 0.75 POLB (0.55) CYP19A1
SCHEMBL11275825 0.75 CYP11B1 (0.55) CYP19A1CYP11B1CYP11B2
SCHEMBL5730977 0.75 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2
SCHEMBL8144459 0.74 CYP19A1 (0.69) CYP19A1CYP11B1CYP11B2CA12
SCHEMBL11705310 0.74 CYP11B1 (0.56) CYP19A1CYP11B1CYP11B2

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-4351948-A Imidazole hydrazone derivatives G.D. SEARLE & CO. (US) 1982-09-28 — — US disclosed
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