SCHEMBL21186586

SCHEMBL21186586

c1ccc(C(Cc2cccc(C(c3ccccc3)n3ccnc3)c2)n2ccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 6/20 0.64
▸ CYP19A1 P11511 9/20 0.63
▸ MEN1 O00255 1/20 0.56
▸ NR1I2 O75469 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ PLA2G1B P04054 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ PGR P06401 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ IDO1 P14902 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ MAOA P21397 1/20 0.56
▸ CNR1 P21554 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ADRA1A P35348 1/20 0.56

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
SCHEMBL738495 0.80 CYP19A1 (1.00) CYP17A1CYP19A1MEN1NR1I2USP2
SCHEMBL12311725 0.79 CYP17A1 (0.60) CYP17A1CYP19A1MEN1NR1I2USP2
SCHEMBL31060651 0.78 CYP17A1 (1.00) CYP17A1CYP19A1MEN1NR1I2USP2
Hydrochloric Acid SCHEMBL28169692 0.78 CYP19A1 (0.96) CYP17A1CYP19A1MEN1NR1I2USP2
Bromide SCHEMBL28170216 0.78 CYP19A1 (0.96) CYP17A1CYP19A1MEN1NR1I2USP2
SCHEMBL1507813 0.74 CYP17A1 (0.71) CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL11352987 0.73 CYP17A1 (0.71) CYP17A1CYP19A1MEN1NR1I2USP2
SCHEMBL1507853 0.73 CYP19A1 (0.67) CYP17A1CYP19A1MEN1NR1I2USP2
Hydrochloric Acid SCHEMBL1507949 0.73 CYP17A1 (0.70) CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL9077571 0.72 CYP19A1 (0.71) CYP17A1CYP19A1MEN1NR1I2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696845-B2 Energy-sensitive resin composition TOKYO OHKA KOGYO CO., LTD. (JP) 2020-06-30 — — US disclosed
US-20190225804-A1 ENERGY-SENSITIVE RESIN COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2019-07-25 — — US disclosed
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