SCHEMBL7115992

SCHEMBL7115992

O=C(Cn1ccnc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 0.72
▸ CYP11B1 P15538 1/20 0.68
▸ CYP11B2 P19099 1/20 0.68
▸ ALPG P10696 2/20 0.56
▸ ALPI P09923 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ PLAA Q9Y263 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ MGAM O43451 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ AMY1A P0DUB6 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ SI P14410 1/20 0.53
▸ MGAM2 Q2M2H8 1/20 0.53

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
SCHEMBL5730977 0.84 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2ALPGALPI
Hydrochloric Acid SCHEMBL410676 0.83 CYP19A1 (0.97) CYP19A1CYP11B1CYP11B2ALPGALPI
SCHEMBL8144459 0.80 CYP19A1 (0.69) CYP19A1CYP11B1CYP11B2ALPGALPI
SCHEMBL28549268 0.80 ALPG (0.63) CYP19A1CYP11B1CYP11B2ALPGALPI
SCHEMBL29669994 0.80 ALPG (0.63) CYP19A1CYP11B1CYP11B2ALPGALPI
SCHEMBL7122140 0.79 L3MBTL1 (0.58) CYP19A1CYP11B1CYP11B2L3MBTL1SMN1; SMN2
SCHEMBL6400518 0.79 ALPG (0.62) CYP19A1CYP11B1CYP11B2ALPGALPI
SCHEMBL5523502 0.79 ALPG (0.62) CYP19A1CYP11B1CYP11B2ALPGALPI
SCHEMBL1718560 0.79 ALPG (0.62) CYP19A1CYP11B1CYP11B2ALPGALPI
SCHEMBL10852956 0.78 KMT2A (0.69) CYP19A1L3MBTL1SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003026664-A1 2-PHENYLAMINO-4- (5-PYRAZOLYLAMINO) -PYRAMIDINE DERIVATIVES AS KINASE INHIBITORS, IN PARTICULAR, SRC KINASE INHIBITORS BAYER CORPORATION (US) 2003-04-03 — — WO disclosed
US-4351948-A Imidazole hydrazone derivatives G.D. SEARLE & CO. (US) 1982-09-28 — — US disclosed
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