SCHEMBL13028401

SCHEMBL13028401

O=C(c1ccc(C(c2ccc(C(=O)n3ccnc3)cc2)(C(F)(F)F)C(F)(F)F)cc1)n1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MLYCD O95822 3/20 0.37
CYP19A1 P11511 3/20 0.36
SLC6A7 Q99884 1/20 0.36
CYP3A4 P08684 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
ADH5 P11766 2/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP17A1 P05093 1/20 0.33

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
SCHEMBL9878041 0.88 MEN1 (0.47) CYP19A1SLC6A7MEN1HPGDTSHR
SCHEMBL9807751 0.83 CYP19A1 (0.46) CYP19A1CYP3A4BAZ2BMAPTADH5
SCHEMBL13028410 0.81 CYP3A4 (0.41) CYP19A1CYP3A4BAZ2BMEN1HPGD
SCHEMBL30580646 0.79 LTA4H (0.47) CYP19A1SLC6A7CYP3A4KMT2ACES2
SCHEMBL13028408 0.79 ADH5 (0.51) CYP19A1SLC6A7CYP3A4BAZ2BTSHR
SCHEMBL31388182 0.78 CYP19A1 (0.52) CYP19A1MEN1KMT2A
SCHEMBL7536534 0.78 ALDH1A1 (0.46) CYP19A1CYP3A4BAZ2BKMT2AMAPT
SCHEMBL18280916 0.77 ADH5 (0.54) CYP19A1CYP3A4BAZ2BMEN1TSHR
SCHEMBL9879507 0.76 LSS (0.47) CYP19A1SLC6A7KMT2AMAPTCES2
SCHEMBL31388138 0.76 TPMT (0.41) CYP19A1CYP3A4BAZ2BMAPTADH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9188860-B2 Method for producing polyamide and resin composition TORAY INDUSTRIES, INC. (JP) 2015-11-17 US disclosed
US-9188860-B2 Method for producing polyamide and resin composition TORAY INDUSTRIES, INC. (JP) 2015-11-17 US disclosed
US-20100285404-A1 METHOD FOR PRODUCING POLYAMIDE AND RESIN COMPOSITION TORAY INDUSTRIES, INC. (JP) 2010-11-11 US disclosed
US-20100285404-A1 METHOD FOR PRODUCING POLYAMIDE AND RESIN COMPOSITION TORAY INDUSTRIES, INC. (JP) 2010-11-11 US disclosed