SCHEMBL10477384

SCHEMBL10477384

Nc1ccc(C(c2ccc(F)cc2)n2ccnc2)cc1N

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.74
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
CYP17A1 P05093 4/20 0.50
P4HB P07237 1/20 0.50
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
USP2 O75604 1/20 0.49
ABCB11 O95342 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PLA2G1B P04054 1/20 0.49
TP53 P04637 1/20 0.49
PGR P06401 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
IDO1 P14902 1/20 0.49
HPGD P15428 1/20 0.49
MAOA P21397 1/20 0.49
CNR1 P21554 1/20 0.49

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
SCHEMBL9077571 0.87 CYP19A1 (0.71) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL10642922 0.86 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2CYP17A1P4HB
SCHEMBL8915884 0.85 CYP19A1 (0.84) CYP19A1CYP11B1CYP11B2CYP17A1P4HB
SCHEMBL10477336 0.82 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2CYP17A1P4HB
SCHEMBL8916376 0.81 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL9196486 0.80 CYP19A1 (0.62) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL9199149 0.79 CYP19A1 (0.72) CYP19A1CYP11B1CYP11B2CYP17A1P4HB
SCHEMBL9662998 0.77 CYP17A1 (0.58) CYP19A1CYP11B1CYP11B2CYP17A1CYP26A1
SCHEMBL940720 0.76 CYP19A1 (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1022245-C Process of preparing [5(6)(1H-azole-1-ylmethyl) benzimidazole] carbamates JANSSEN PHARMACEUTICA NV (BE) 1993-09-29 CN disclosed
CN-1036014-A The method of preparation [(5 (6) (1H-azoles-1-ylmethyl) benzoglyoxaline] carbamate JANSSEN PHARMACEUTICA NV (BE) 1989-10-04 CN disclosed
US-4826862-A Anthelminthic [(5(6) (1H-azole-1-ylmethyl)benzimidazole]carbamates JANSSEN PHARMACEUTICA, N.V. (BE) 1989-05-02 US disclosed