SCHEMBL8917459

SCHEMBL8917459

O=S(=O)(Nn1ncc2ccc3cc(F)ccc3c21)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
AHR P35869 1/20 0.37
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33

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
SCHEMBL8917798 0.91 MCL1 (0.47) MCL1ALDH1A1L3MBTL1LMNAGLA
SCHEMBL8917485 0.90 ALDH1A1 (0.49) MCL1ALDH1A1L3MBTL1LMNAGLA
SCHEMBL8917778 0.90 SGK1 (0.39) MCL1AHRALOX5APFEN1
SCHEMBL8918579 0.87 ALDH1A1 (0.40) MCL1ALDH1A1L3MBTL1LMNAGLA
SCHEMBL8916165 0.87 LMNA (0.40) MCL1ALDH1A1L3MBTL1LMNAGLA
SCHEMBL8920658 0.85 ALDH1A1 (0.39) MCL1ALDH1A1L3MBTL1LMNAGLA
SCHEMBL8916678 0.81 SGK1 (0.38) MCL1ALDH1A1L3MBTL1LMNAGLA
SCHEMBL8917282 0.78 PLAU (0.38) ALOX5APFEN1
SCHEMBL8917277 0.75 TRPV4 (0.34) MCL1ALDH1A1TSHRRAB9A
SCHEMBL8918537 0.74 FBP1 (0.33) ALDH1A1L3MBTL1LMNAGLAMEN1

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-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed