SCHEMBL8999005

SCHEMBL8999005

COC(=O)Cc1c(SC)[nH]c2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.82
SRC P12931 9/20 0.61
ATM Q13315 1/20 0.50
CHRNA7 P36544 1/20 0.49
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1191332 0.81 KDM4E (0.69) EGFRSRCKDM4ELMNAALDH1A1
SCHEMBL27191679 0.79 EGFR (0.68) EGFRSRCATMKDM4ELMNA
SCHEMBL14367892 0.79 EGFR (0.68) EGFRSRC
SCHEMBL3276728 0.78 EGFR (0.66) EGFRSRCKDM4ELMNAALDH1A1
SCHEMBL28518839 0.78 EGFR (0.66) EGFRSRCCHRNA7KDM4ELMNA
SCHEMBL7905354 0.78 EGFR (0.66) EGFRKDM4ELMNAALDH1A1HSD17B10
SCHEMBL13246948 0.77 EGFR (0.64) EGFRSRCATMKDM4ELMNA
SCHEMBL5972910 0.76 EGFR (0.63) EGFRSRCCHRNA7KDM4ELMNA
SCHEMBL24098781 0.75 EGFR (0.61) EGFRSRCKDM4EALDH1A1MAPT
SCHEMBL30325227 0.75 EGFR (0.61) EGFRSRCKDM4EALDH1A1MAPT

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-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 US claimed