SCHEMBL15768667

SCHEMBL15768667

Cc1ccc(N(c2ccc(Br)cc2)c2ccc(C)cc2C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
RAPGEF4 Q8WZA2 1/20 0.39
MAPK1 P28482 2/20 0.34
TP53 P04637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOB P27338 1/20 0.34
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.32
IGF1R P08069 1/20 0.32
CYP3A4 P08684 2/20 0.32
S100B P04271 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CRHR1 P34998 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
SCHEMBL5422052 0.96 ALDH1A1 (0.44) ALDH1A1RAPGEF4MAPK1TP53TDP1
SCHEMBL5668633 0.95 ALDH1A1 (0.40) ALDH1A1RAPGEF4MAPK1TP53TDP1
SCHEMBL2312975 0.94 ALDH1A1 (0.48) ALDH1A1RAPGEF4MAPK1TP53TDP1
SCHEMBL2542866 0.94 ALDH1A1 (0.38) ALDH1A1RAPGEF4MAPK1TP53TDP1
SCHEMBL5666163 0.93 ALDH1A1 (0.39) ALDH1A1RAPGEF4MAPK1TP53TDP1
SCHEMBL2314652 0.91 ALDH1A1 (0.40) ALDH1A1RAPGEF4MAPK1TP53TDP1
SCHEMBL18104292 0.90 ALDH1A1 (0.36) ALDH1A1RAPGEF4IGF1RCRHR1
SCHEMBL5668297 0.90 ALDH1A1 (0.43) ALDH1A1RAPGEF4MAPK1TP53TDP1
SCHEMBL2307474 0.88 ALDH1A1 (0.38) ALDH1A1RAPGEF4MAOBNPC1MAPT
SCHEMBL20149501 0.88 ALDH1A1 (0.42) ALDH1A1RAPGEF4TP53TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9263681-B2 Organic light emitting host materials NITTO DENKO CORPORATION (JP) 2016-02-16 US disclosed
US-9263681-B2 Organic light emitting host materials NITTO DENKO CORPORATION (JP) 2016-02-16 US disclosed
US-9263681-B2 Organic light emitting host materials NITTO DENKO CORPORATION (JP) 2016-02-16 US disclosed
WO-2014093353-A1 ORGANIC LIGHT EMITTING POLYAROMATIC AND POLYHETEROAROMATIC HOST MATERIALS NITTO DENKO CORPORATION (JP) 2014-06-19 WO disclosed
WO-2014093353-A1 ORGANIC LIGHT EMITTING POLYAROMATIC AND POLYHETEROAROMATIC HOST MATERIALS NITTO DENKO CORPORATION (JP) 2014-06-19 WO disclosed
US-20140159015-A1 ORGANIC LIGHT EMITTING HOST MATERIALS NITTO DENKO CORPORATION (JP) 2014-06-12 US disclosed
US-20140159015-A1 ORGANIC LIGHT EMITTING HOST MATERIALS NITTO DENKO CORPORATION (JP) 2014-06-12 US disclosed
US-20140159015-A1 ORGANIC LIGHT EMITTING HOST MATERIALS NITTO DENKO CORPORATION (JP) 2014-06-12 US disclosed