SCHEMBL15097510

SCHEMBL15097510

CCCCCCCCCCCCc1ccc(SOC)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.43
ALOX5 P09917 4/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TYR P14679 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MAOB P27338 1/20 0.35
PTGS2 P35354 3/20 0.35
HTR2A P28223 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
SCHEMBL15097496 0.81 AR (0.40) ARALOX5TSHRMEN1KMT2A
SCHEMBL15097498 0.78 ALOX5 (0.44) ALOX5TSHRMEN1KMT2ATYR
SCHEMBL15097500 0.78 ALOX5 (0.41) ALOX5TSHRMEN1KMT2ATYR
SCHEMBL8860801 0.76 TSHR (0.53) ALOX5TSHRMEN1KMT2ATYR
SCHEMBL15097487 0.75 ALOX5 (0.38) ALOX5TSHRMEN1KMT2ATYR
SCHEMBL15097488 0.75 S1PR1 (0.43) ARALOX5TSHRMEN1KMT2A
SCHEMBL16596407 0.75 TYR (0.42) ALOX5TSHRMEN1KMT2ATYR
SCHEMBL22400187 0.75 PTGDR2 (0.44) ALOX5TSHRMEN1KMT2ATYR
SCHEMBL15097508 0.74 TDP1 (0.45) ALOX5TSHRMEN1KMT2ATYR
SCHEMBL11365584 0.73 CYP3A4 (0.60) ALOX5TSHRMEN1KMT2ATYR

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
US-20130177851-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed