SCHEMBL31060651

SCHEMBL31060651

c1ccc(CC(c2ccc(-c3ccccc3)cc2)n2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 15/20 1.00
▸ CYP19A1 P11511 5/20 0.69
▸ MEN1 O00255 1/20 0.61
▸ NR1I2 O75469 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ PLA2G1B P04054 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ PGR P06401 1/20 0.61
▸ HSP90AA1 P07900 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ IDO1 P14902 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ MAOA P21397 1/20 0.61
▸ CNR1 P21554 1/20 0.61
▸ HTR2A P28223 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ ADRA1A P35348 1/20 0.61

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
SCHEMBL1507813 0.83 CYP17A1 (0.71) CYP17A1CYP19A1
Hydrochloric Acid SCHEMBL1507949 0.82 CYP17A1 (0.70) CYP17A1CYP19A1
SCHEMBL19054892 0.80 CYP17A1 (0.68) CYP17A1CYP19A1MEN1NR1I2USP2
SCHEMBL21186586 0.78 CYP17A1 (0.64) CYP17A1CYP19A1MEN1NR1I2USP2
SCHEMBL11349905 0.78 CYP17A1 (1.00) CYP17A1CYP19A1MEN1NR1I2USP2
SCHEMBL7740382 0.78 CYP19A1 (0.71) CYP17A1CYP19A1MEN1NR1I2USP2
Bifonazole SCHEMBL1551534 0.76 CYP17A1 (1.00) CYP17A1CYP19A1MEN1NR1I2USP2
Bifonazole SCHEMBL1606037 0.76 CYP17A1 (1.00) CYP17A1CYP19A1MEN1NR1I2USP2
Bifonazole SCHEMBL36803 0.76 CYP17A1 (1.00) CYP17A1CYP19A1MEN1NR1I2USP2
Bifonazole SCHEMBL394764 0.76 CYP17A1 (1.00) 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
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed
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