SCHEMBL28114925

SCHEMBL28114925

C#CNc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
PTPN1 P18031 3/20 0.42
PTPN11 Q06124 1/20 0.42
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CYP1A2 P05177 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
MMP3 P08254 1/20 0.39
BCL2L1 Q07817 1/20 0.39
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL1358827 0.93 ALDH1A1 (0.39) ALDH1A1PTPN1PTPN11CYP1A2TAAR1
SCHEMBL465339 0.85
Benzene SCHEMBL28686547 0.85 ALDH1A1 (0.45) ALDH1A1CYP1A2MAPK1HSD17B10TDP1
SCHEMBL27820487 0.82 ALDH1A1 (0.43) ALDH1A1CYP1A2MAPK1HSD17B10TDP1
SCHEMBL27780348 0.82 ALDH1A1 (0.43) ALDH1A1CYP1A2MAPK1HSD17B10TDP1
Hydrochloric Acid SCHEMBL29730399 0.82 ALDH1A1 (0.43) ALDH1A1CYP1A2MAPK1HSD17B10TDP1
SCHEMBL2811259 0.82 MGLL (0.42) ALDH1A1HSD17B10TDP1MMP8MMP14
SCHEMBL28126651 0.78 TSHR (0.42) ALDH1A1CYP1A2MAPK1HSD17B10TDP1
SCHEMBL5026944 0.76 DHODH (0.43) ALDH1A1PTPN1PTPN11CYP1A2TAAR1
SCHEMBL1176858 0.76 PTPN1 (0.47) ALDH1A1PTPN1PTPN11TAAR1MAPK1

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
CN-106211596-A A kind of double side flexible copper coated board and preparation method thereof 杭州福斯特光伏材料股份有限公司 2016-12-07 CN disclosed