SCHEMBL18829673

SCHEMBL18829673

COc1ccc(/C(C)=N/Cc2ccccc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
GRIN2B Q13224 2/20 0.42
GRIN1 Q05586 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CTSD P07339 1/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.42
NOS2 P35228 1/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL15947206 0.80 NPC1 (0.51) HTTGRIN2BKMT2AMAPTNOS2
SCHEMBL5799220 0.80 NPC1 (0.51) HTTGRIN2BKMT2AMAPTNOS2
SCHEMBL5797993 0.74 NPSR1 (0.53) HTTCTSDNOS2GAANPC1
SCHEMBL8233732 0.72 USP2 (0.41) HTTGRIN2BMEN1KMT2AMAPT
SCHEMBL24451313 0.72 HPGD (0.56) HTTMEN1KMT2ATSHRMAPT
SCHEMBL25683635 0.71 DHODH (0.54) HTTMEN1KMT2ATSHRNPC1
SCHEMBL1448967 0.70 HPGD (0.51) HTTMEN1KMT2ATSHRMAPT
SCHEMBL1448963 0.70 HPGD (0.51) HTTMEN1KMT2ATSHRMAPT
SCHEMBL1448965 0.70 HPGD (0.51) HTTMEN1KMT2ATSHRMAPT
SCHEMBL9133454 0.70 NPC1 (0.50) GRIN2BCTSDTSHRMAPTNOS2

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
EP-2373758-B1 PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2017-05-10 EP disclosed