SCHEMBL8917439

SCHEMBL8917439

O=c1ccc2cc(C(c3ccc(F)cc3)n3ccnc3)ccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.69
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
CNR1 P21554 4/20 0.47
TBXAS1 P24557 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
CYP17A1 P05093 1/20 0.45
P4HB P07237 1/20 0.43

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
SCHEMBL8916741 0.89 FNTA (0.60) CYP19A1FNTAFNTBCYP11B1CYP11B2
SCHEMBL10464405 0.82 CYP17A1 (0.53) CYP19A1FNTAFNTBCYP11B1CYP11B2
SCHEMBL6305490 0.78 FNTA (0.81) CYP19A1FNTAFNTBCYP11B1CYP11B2
SCHEMBL10642922 0.78 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2CNR1CYP17A1
SCHEMBL10102766 0.76 CYP19A1 (0.55) CYP19A1FNTAFNTBCYP11B1CYP11B2
SCHEMBL10464815 0.74 CYP19A1 (0.57) CYP19A1FNTAFNTBCNR1TBXAS1
SCHEMBL10461788 0.73 CYP17A1 (0.50) CYP19A1TBXAS1PDE3BPDE3ACYP17A1
SCHEMBL12337076 0.73 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL10477318 0.73 CYP19A1 (0.55) CYP19A1FNTAFNTBCYP11B1CYP11B2
SCHEMBL27262921 0.73 CYP19A1 (0.62) CYP19A1CYP11B1CYP11B2CNR1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612354-A CONTROLLING CELL GROWTH AND DIFFERENTIATION, RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-18 US claimed
US-5185346-A Antiandrogenic agents; suppress elimination of retinoids; anticarcinogenic agents HANSSEN PHARMACEUTICA (BE) 1993-02-09 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-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