SCHEMBL6868753

SCHEMBL6868753

O=[N+]([O-])c1ccc(C(c2ccccc2)n2ccnc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 12/20 0.89
▸ CYP17A1 P05093 2/20 0.64
▸ IDO1 P14902 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ NR1I2 O75469 1/20 0.64
▸ USP2 O75604 1/20 0.64
▸ ABCB11 O95342 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ PLA2G1B P04054 1/20 0.64
▸ TP53 P04637 1/20 0.64
▸ PGR P06401 1/20 0.64
▸ HSP90AA1 P07900 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ MAOA P21397 1/20 0.64
▸ CNR1 P21554 1/20 0.64
▸ HTR2A P28223 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ ADRA1A P35348 1/20 0.64

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
SCHEMBL9191682 0.83 CYP19A1 (0.62) CYP19A1CYP17A1IDO1MEN1NR1I2
SCHEMBL738495 0.83 CYP19A1 (1.00) CYP19A1CYP17A1IDO1MEN1NR1I2
Bromide SCHEMBL28170216 0.81 CYP19A1 (0.96) CYP19A1CYP17A1IDO1MEN1NR1I2
Hydrochloric Acid SCHEMBL28169692 0.81 CYP19A1 (0.96) CYP19A1CYP17A1IDO1MEN1NR1I2
SCHEMBL9523472 0.81 CYP19A1 (0.60) CYP19A1CYP17A1IDO1MEN1NR1I2
SCHEMBL9523782 0.81 CYP19A1 (0.60) CYP19A1CYP17A1IDO1MEN1NR1I2
SCHEMBL10362265 0.81 CYP19A1 (0.70) CYP19A1CYP17A1CYP11B1CYP11B2CYP26A1
SCHEMBL10361919 0.80 CYP24A1 (0.61) CYP19A1CYP17A1IDO1MEN1NR1I2
Hydrochloric Acid SCHEMBL10362269 0.80 CYP19A1 (0.69) CYP19A1CYP17A1CYP11B1CYP11B2CYP26A1
SCHEMBL9662303 0.79 CYP19A1 (0.73) CYP19A1CYP17A1IDO1CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1106610-B1 Farnesyl transferase inhibiting 2-quinolone derivatives JANSSEN PHARMACEUTICA NV (BE) 2004-06-16 — — EP disclosed
EP-1019395-B1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-01-30 — — EP disclosed
EP-1106610-A1 Farnesyl transferase inhibiting 2-quinolone derivatives Janssen Pharmaceutica N.V. (BE) 2001-06-13 — — EP disclosed
EP-1019395-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-07-19 — — EP disclosed
US-5968952-A ANTITUMOR AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1999-10-19 — — US disclosed
WO-1997016443-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-09 — — WO disclosed
US-5612354-A CONTROLLING CELL GROWTH AND DIFFERENTIATION, RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-18 — — US disclosed
CN-1033752-C (1H-azol-1-ylmethyl) substituted quinoline or quinolinone derivatives JANSSEN PHARMACEUTICA NV (SE) 1997-01-08 — — CN disclosed
US-5441954-A Treatment of disorders characterized by increased proliferation and/or abnormal differentiation of cells JANSSEN PHARMACEUTICA N. V. (BE) 1995-08-15 — — US disclosed
CN-1106005-A A process for preparing (1H-azol-1-ylmethyl) substituted quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-08-02 — — CN disclosed
CN-1106004-A A process for preparing (1H-azol-1-ylmethyl) substituted quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-08-02 — — CN disclosed
EP-0371564-B1 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-07-12 — — EP disclosed
US-5268380-A Therapy for keratinization in mammals JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-07 — — US disclosed
US-5185346-A Antiandrogenic agents; suppress elimination of retinoids; anticarcinogenic agents HANSSEN PHARMACEUTICA (BE) 1993-02-09 — — US disclosed
CN-1042912-A (1H-oxazol-1-ylmethyl) substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1990-06-13 — — CN disclosed
EP-0371564-A2 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-06 — — EP disclosed
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