SCHEMBL7793956

SCHEMBL7793956

COc1c(C(=O)O)sc2c1CCNC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
PTPRC P08575 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
APEX1 P27695 2/20 0.36
CXCR2 P25025 1/20 0.35
PNMT P11086 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR7 P34969 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL2761886 0.82 ADORA1 (0.63) ADORA1PTPRCPTPN2PTPN1ALOX15
SCHEMBL1175495 0.80 PTPRC (0.48) ADORA1PTPRCPTPN2PTPN1APEX1
SCHEMBL9137624 0.77 CHRM5 (0.37) ADORA1PTPRCPTPN2PTPN1PNMT
SCHEMBL7790171 0.72 ADORA1 (0.45) ADORA1PTPRCPTPN2PTPN1APEX1
SCHEMBL13354793 0.72 ADORA1 (0.37) ADORA1HSD17B10
SCHEMBL7796179 0.72 ADORA1 (0.45) ADORA1PTPRCPTPN2PTPN1APEX1
SCHEMBL30772840 0.71 PTPRC (0.60) ADORA1PTPRCPTPN2PTPN1APEX1
SCHEMBL31329755 0.71 CXCR2 (0.53) ADORA1PTPRCPTPN2PTPN1APEX1
SCHEMBL30477005 0.70 ADORA1 (0.63) ADORA1PTPRCPTPN2PTPN1CXCR2
Hydrochloric Acid SCHEMBL28923959 0.69 ADORA1 (0.64) ADORA1PTPRCPTPN2PTPN1CXCR2

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
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed