SCHEMBL7190381

SCHEMBL7190381

Nc1ccc(C(=O)c2ccc(N)c(C(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.41
SRD5A2 P31213 2/20 0.41
HTT P42858 3/20 0.41
HPGD P15428 1/20 0.41
PBRM1 Q86U86 1/20 0.41
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
AR P10275 1/20 0.40
DDR1 Q08345 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
KIF11 P52732 1/20 0.39

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
SCHEMBL30469486 0.93 AR (0.43) SRD5A2HTTGAATSHRAR
SCHEMBL3198016 0.93 AR (0.43) SRD5A2HTTGAATSHRAR
SCHEMBL7871444 0.88 PBRM1 (0.51) SRD5A2HTTHPGDPBRM1GAA
SCHEMBL10036537 0.85 SMN1; SMN2 (0.53) PTGS1SRD5A2HTTHPGDPBRM1
SCHEMBL7188882 0.85 PBRM1 (0.57) PTGS1SRD5A2HTTPBRM1TSHR
SCHEMBL12583969 0.84 PTGS1 (0.42) PTGS1SRD5A2HTTHPGDPBRM1
SCHEMBL7187653 0.84 POLB (0.43) PTGS1HTTHPGDGAATSHR
SCHEMBL23270210 0.83 CHEK2 (0.52) SRD5A2CA1CA2CA9CHEK2
SCHEMBL7189576 0.83 SRD5A2 (0.43) PTGS1SRD5A2HPGDDDR1MAPT
SCHEMBL10002086 0.83 PDK1 (0.40) HTTHPGDPBRM1GAAAR

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-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed