SCHEMBL8916741

SCHEMBL8916741

O=c1ccc2cc(C(c3ccccc3)n3ccnc3)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.60
FNTB P49356 1/20 0.60
CYP19A1 P11511 8/20 0.57
CNR1 P21554 4/20 0.55
CYP17A1 P05093 2/20 0.54
MEN1 O00255 1/20 0.54
NR1I2 O75469 1/20 0.54
USP2 O75604 1/20 0.54
ABCB11 O95342 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PLA2G1B P04054 1/20 0.54
TP53 P04637 1/20 0.54
PGR P06401 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
IDO1 P14902 1/20 0.54
HPGD P15428 1/20 0.54
MAOA P21397 1/20 0.54
HTR2A P28223 1/20 0.54

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
SCHEMBL8917439 0.89 CYP19A1 (0.69) FNTAFNTBCYP19A1CNR1CYP17A1
SCHEMBL10464405 0.83 CYP17A1 (0.53) FNTAFNTBCYP19A1CYP17A1MAPT
SCHEMBL10464815 0.82 CYP19A1 (0.57) FNTAFNTBCYP19A1CNR1CYP17A1
SCHEMBL9664304 0.81 CYP19A1 (0.61) FNTAFNTBCYP19A1CNR1CYP17A1
SCHEMBL10102468 0.81 CYP19A1 (0.56) FNTAFNTBCYP19A1CNR1CYP17A1
SCHEMBL6866443 0.81 FNTA (0.88) FNTAFNTBCYP19A1CNR1CYP17A1
SCHEMBL10461782 0.79 TBXAS1 (0.46) FNTAFNTBCYP19A1TBXAS1PDE3B
SCHEMBL5467872 0.79 CYP19A1 (0.62) FNTAFNTBCYP19A1CNR1CYP17A1
SCHEMBL5471644 0.78 CYP19A1 (0.56) FNTAFNTBCYP19A1CNR1CYP17A1
SCHEMBL9190606 0.77 CYP26A1 (0.53) FNTAFNTBCYP19A1CNR1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4792561-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US claimed
US-5612354-A CONTROLLING CELL GROWTH AND DIFFERENTIATION, RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-18 US 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-1106004-A A process for preparing (1H-azol-1-ylmethyl) substituted quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-08-02 CN disclosed
CN-1106005-A A process for preparing (1H-azol-1-ylmethyl) substituted quinoxaline 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
US-4921862-A Carbostyril derivatives as combined thromboxane synthetase and cyclic-amp phosphodiesterase inhibitors SYNTEX (U.S.A.) INC. (US) 1990-05-01 US disclosed
US-4792561-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed