SCHEMBL11800698

SCHEMBL11800698

CCCCCCCCCCSN(C)/C(C)=N/C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.37
THRB P10828 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
BLM P54132 1/20 0.33
DNM1 Q05193 3/20 0.32
TSHR P16473 2/20 0.31
EPHX1 P07099 1/20 0.31
FAAH O00519 4/20 0.30
CES1 P23141 4/20 0.30
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PLA2G6 O60733 1/20 0.30

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
SCHEMBL11812204 0.78 THRB (0.32) CES2THRBHSD17B10GMNNTP53
SCHEMBL11812208 0.78 THRB (0.32) CES2THRBHSD17B10GMNNTP53
SCHEMBL11294459 0.74 CES2 (0.45) CES2THRBHSD17B10GMNNTP53
SCHEMBL28407024 0.69 TSHR (0.44) CES2THRBHSD17B10GMNNTP53
SCHEMBL27255307 0.69 TSHR (0.44) CES2THRBHSD17B10GMNNTP53
SCHEMBL28832704 0.69 TSHR (0.44) CES2THRBHSD17B10GMNNTP53
SCHEMBL6562270 0.68 EPHX1 (0.44) CES2THRBHSD17B10GMNNTP53
SCHEMBL11804564 0.68 CES2 (0.36) CES2THRBHSD17B10GMNNTP53
SCHEMBL11804559 0.68 CES2 (0.36) CES2THRBHSD17B10GMNNTP53
SCHEMBL6859403 0.67 ALDH1A1 (0.38) CES2THRBHSD17B10GMNNTP53

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-3963683-A Rubber formulations containing vulcanization inhibiting thioformamidine compounds UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-06-15 US disclosed