SCHEMBL9510682

SCHEMBL9510682

C=C(C(=O)OC#N)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
DAO P14920 1/20 0.44
HPGDS O60760 1/20 0.43
KMT2A Q03164 6/20 0.42
RAB9A P51151 5/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 4/20 0.42
MEN1 O00255 4/20 0.42
POLB P06746 2/20 0.42
HDAC1 Q13547 1/20 0.42
ALOX15 P16050 1/20 0.40
GSK3B P49841 1/20 0.40
HPGD P15428 4/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 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
SCHEMBL31689109 0.79 CES2 (0.52) CES2CES1DAOHPGDSKMT2A
SCHEMBL28246148 0.78 CES2 (0.48) CES2CES1DAOHPGDSKMT2A
SCHEMBL7702480 0.77 CES2 (0.50) CES2CES1DAOHPGDSKMT2A
SCHEMBL27786451 0.75 TDP1 (0.46) CES2CES1DAOKMT2ARAB9A
SCHEMBL8969122 0.73 TSHR (0.51) CES2CES1KMT2ARAB9ALMNA
SCHEMBL13656482 0.73 CES2 (0.56) CES2CES1DAOHPGDSKMT2A
SCHEMBL1445579 0.72 DAO (0.61) CES2CES1DAOHPGDSKMT2A
SCHEMBL27304194 0.72 APLNR (0.46) CES2CES1DAOHPGDSKMT2A
SCHEMBL31560056 0.71 CES2 (0.54) CES2CES1DAOHPGDSKMT2A
SCHEMBL6206232 0.71 TP53 (0.47) CES2CES1DAOHPGDSALDH1A1

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
EP-0563271-A1 UV/EB CURABLE BUTYL COPOLYMERS FOR COATING APPLICATIONS EXXON CHEMICAL PATENTS INC. (US) 1993-10-06 EP claimed