SCHEMBL3374775

SCHEMBL3374775

CCCCc1ccc(-c2ccc(C=C(N)c3ccc(C(N)=Cc4ccc(-c5ccc(CCCC)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.55
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RARA P10276 1/20 0.49
MAPT P10636 1/20 0.49
MTOR P42345 1/20 0.49
THRA P10827 5/20 0.46
THRB P10828 5/20 0.46
PLK1 P53350 1/20 0.44
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL14374246 0.88 GRIN2D (0.47) RARBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL9625356 0.80 RARB (0.53) RARBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL9293984 0.79 RARB (0.51) RARBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL9625465 0.78 RARB (0.53) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL23736074 0.77 RARB (0.62) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL13076872 0.77 THRA (0.56) RARBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL15750344 0.77 RARB (0.72) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9625201 0.76 RARB (0.54) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9626444 0.76 RARB (0.54) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9626052 0.76 RARB (0.54) RARBMEN1KMT2AALDH1A1RARA

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-2236488-A1 Materials, methods and uses for photochemical generation of acids and/or radical species The Arizona Board of Regents on behalf of the University of Arizona (US) 2010-10-06 EP disclosed