SCHEMBL14838430

SCHEMBL14838430

COc1ccc(Cc2sc(-c3ccc(C#N)cc3)cc2C2=C(c3cc(-c4ccc(OC)cc4)sc3-c3ccc(C#N)cc3)C(F)(F)C(F)(F)C2(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
ALOX5 P09917 2/20 0.32
KDR P35968 1/20 0.32
THRB P10828 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
GSK3B P49841 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM1A O60341 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP19A1 P11511 1/20 0.31
PTGDR Q13258 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL10035902 0.92 ALOX5 (0.37) MAPTALOX5MEN1KMT2AALDH1A1
SCHEMBL14838429 0.90 THRB (0.38) MAOAMAOBMAPTTHRBCYP1A1
SCHEMBL21291329 0.90 THRB (0.38) MAOAMAOBMAPTTHRBCYP1A1
SCHEMBL14838376 0.90 THRB (0.38) MAOAMAOBMAPTTHRBCYP1A1
SCHEMBL16024128 0.90 THRB (0.38) MAOAMAOBMAPTTHRBCYP1A1
SCHEMBL16011184 0.90 THRB (0.38) MAOAMAOBMAPTTHRBCYP1A1
SCHEMBL16021761 0.89 MAPT (0.37) MAOAMAOBMAPTPOLBTHRB
SCHEMBL14833740 0.84 THRB (0.35) MAOAMAOBMAPTTHRBCYP1A1
SCHEMBL21695434 0.83 ALOX5 (0.40) ALOX5CNR1TSHR
SCHEMBL14838381 0.81 ESR1 (0.41) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013044371-A1 PHOTOCHROMIC AND ELECTROCHROMIC DIARYLCYCLOPENTENE DERIVATIVES AS OPTICAL FILTERS SWITCH MATERIALS, INC. (CA) 2013-04-04 WO disclosed