SCHEMBL6966993

SCHEMBL6966993

FC(F)(F)c1cccnc1[S]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
HSD11B1 P28845 3/20 0.37
NFE2L2 Q16236 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TNF P01375 1/20 0.37
CXCL8 P10145 1/20 0.37
PAX8 Q06710 1/20 0.37
KLF5 Q13887 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LMNA P02545 2/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
SLC40A1 Q9NP59 1/20 0.36
CA2 P00918 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
SCHEMBL15624412 0.76 TRPV1 (0.47) EPHX2TRPV1
SCHEMBL31009386 0.74 EPHX2 (0.44) EPHX2ALDH1A1MAPTATMHSD11B1
SCHEMBL31608519 0.74 EPHX2 (0.44) EPHX2ALDH1A1MAPTATMHSD11B1
SCHEMBL8436654 0.74 EPHX2 (0.44) EPHX2ALDH1A1MAPTATMHSD11B1
SCHEMBL610024 0.74 EPHX2 (0.44) EPHX2ALDH1A1MAPTATMHSD11B1
SCHEMBL2305693 0.73 EPHX2 (0.43) EPHX2HSD11B1NFE2L2MEN1KMT2A
SCHEMBL162911 0.73 EPHX2 (0.43) EPHX2HSD11B1NFE2L2MEN1KMT2A
SCHEMBL120643 0.73 RPS6KA5 (0.45) EPHX2HSD11B1NFE2L2MEN1KMT2A
SCHEMBL12153212 0.73 EPHX2 (0.43) EPHX2ALDH1A1MAPTHSD11B1NFE2L2
SCHEMBL1313342 0.73 EPHX2 (0.47) EPHX2MAPTHSD11B1NFE2L2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-4995898-A Imidazole compounds and biocidal composition comprising the same for controlling harmful organisms ISHIHARA SANGYO KAISHA, LTD. (JP) 1991-02-26 US disclosed