SCHEMBL9101041

SCHEMBL9101041

c1ccc(Sc2cccc3c2Cc2ccccc2-3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NSD2 O96028 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PNMT P11086 1/20 0.46
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HTR7 P34969 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ CHRNA7 P36544 2/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ HTR3A P46098 2/20 0.36
▸ MAOA P21397 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ KDR P35968 1/20 0.35

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
SCHEMBL15515713 0.89 PNMT (0.52) KDM4EMAPTPNMTNPC1RAB9A
SCHEMBL28948564 0.86 MAOA (0.53) KDM4EMAPTNSD2MAPK1PNMT
Boric Acid SCHEMBL28386066 0.82 PNMT (0.46) KDM4EMAPTPNMTNPC1RAB9A
SCHEMBL2873919 0.78 PNMT (0.49) KDM4EMAPTPNMTNPC1RAB9A
SCHEMBL524602 0.76 PNMT (0.63) KDM4EMAPTPNMTNPC1RAB9A
SCHEMBL30103334 0.76 PNMT (0.63) KDM4EMAPTPNMTNPC1RAB9A
SCHEMBL1706199 0.75 ALDH1A1 (0.40) KDM4EMAPTNSD2MAPK1CHRNA7
SCHEMBL9185868 0.75 MAOA (0.50) KDM4EMAPTNSD2MAPK1NPC1
SCHEMBL2877998 0.74 PNMT (0.61) KDM4EMAPTPNMTNPC1RAB9A
SCHEMBL10584887 0.73 MAPT (0.61) KDM4EMAPTNSD2MAPK1SIRT1

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-8192590-B1 Microwave-assisted formation of sulfonium photoacid generators UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-05 — — US disclosed
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