SCHEMBL8916376

SCHEMBL8916376

Nc1ccc(C(c2cccc(F)c2)n2ccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.61
CYP11B1 P15538 3/20 0.56
CYP11B2 P19099 3/20 0.56
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
CNR1 P21554 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
SCHEMBL9196512 0.89 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL8915884 0.86 CYP19A1 (0.84) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL667347 0.84 CYP19A1 (0.80) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL940720 0.84 CYP19A1 (0.70) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL8917077 0.84 CYP19A1 (0.63) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL9196344 0.82 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL10477384 0.81 CYP19A1 (0.74) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL9077571 0.79 CYP19A1 (0.71) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL9198548 0.79 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL10642922 0.77 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2CYP17A1MEN1

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 6 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 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
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
EP-0371564-A2 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-06 EP disclosed