SCHEMBL15097496

SCHEMBL15097496

CCCCCCCCCCCCc1c(C#N)cc(SOC)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.40
ALOX5 P09917 5/20 0.37
TSHR P16473 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOB P27338 1/20 0.32

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
SCHEMBL15097510 0.81 AR (0.43) ARALOX5TSHRHSD17B10ALDH1A1
SCHEMBL15097486 0.76 ALOX5 (0.43) ALOX5TSHRMAPTMEN1HTT
SCHEMBL15097515 0.76 ALOX5 (0.40) ALOX5
SCHEMBL15097808 0.73 ALOX5 (0.37) ARALOX5
SCHEMBL15097806 0.73 ALOX5 (0.37) ALOX5ALDH1A1MAPT
SCHEMBL15097502 0.71 ESR1 (0.39) ALOX5ALDH1A1MAPTLMNAMEN1
SCHEMBL26313504 0.70 HSD17B10 (0.45) TSHRHSD17B10ALDH1A1HPGDMAPT
SCHEMBL12406507 0.70 ALDH1A1 (0.38) ALOX5TSHRHSD17B10ALDH1A1HPGD
SCHEMBL10880958 0.68 MAPT (0.51) ARTSHRHSD17B10ALDH1A1HPGD
SCHEMBL16416384 0.68 TSHR (0.44) ARALOX5TSHRHSD17B10ALDH1A1

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