SCHEMBL7189031

SCHEMBL7189031

CC(C)(c1cccc(N)c1)c1ccc(N)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
KIF11 P52732 1/20 0.38
NR1H2 P55055 1/20 0.36
CASP1 P29466 2/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
PTGS1 P23219 5/20 0.35
MAOB P27338 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
AR P10275 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SRC P12931 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
SCHEMBL7195547 0.84 TSHR (0.52) TSHRMAPK1GAAGLAPOLB
SCHEMBL7195566 0.84 GAA (0.59) TSHRMAPK1GAAGLAPOLB
SCHEMBL7183524 0.83 TSHR (0.47) TSHRMAPK1GAAGLAPOLB
SCHEMBL486844 0.82 TSHR (0.52) TSHRMAPK1GAACASP1CYP3A4
SCHEMBL27145615 0.81 TSHR (0.47) TSHRMAPK1GAAGLAPOLB
SCHEMBL7194295 0.80 TSHR (0.56) TSHRMAPK1GAAGLAPOLB
SCHEMBL7187852 0.79 TSHR (0.55) TSHRMAPK1GAAGLAPOLB
SCHEMBL125232 0.78 TSHR (0.60) TSHRMAPK1CASP1CYP3A4RECQL
SCHEMBL31476400 0.78 TSHR (0.60) TSHRMAPK1CASP1CYP3A4RECQL
SCHEMBL29374282 0.78 TSHR (0.60) TSHRMAPK1CASP1CYP3A4RECQL

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