SCHEMBL8917485

SCHEMBL8917485

Cc1ccc2c(ccc3cnn(NS(=O)(=O)c4cc(C(F)(F)F)ccc4Cl)c32)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.49
GLA P06280 1/20 0.49
MCL1 Q07820 8/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
RAB9A P51151 1/20 0.36
HSD11B1 P28845 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
SCHEMBL8917798 0.91 MCL1 (0.47) ALDH1A1L3MBTL1LMNAGLAMCL1
SCHEMBL8917459 0.90 MCL1 (0.41) ALDH1A1L3MBTL1LMNAGLAMCL1
SCHEMBL8918579 0.89 ALDH1A1 (0.40) ALDH1A1L3MBTL1LMNAGLAMCL1
SCHEMBL8916678 0.89 SGK1 (0.38) ALDH1A1L3MBTL1LMNAGLAMCL1
SCHEMBL8916165 0.89 LMNA (0.40) ALDH1A1L3MBTL1LMNAGLAMCL1
SCHEMBL8920658 0.87 ALDH1A1 (0.39) ALDH1A1L3MBTL1LMNAGLAMCL1
SCHEMBL8918537 0.84 FBP1 (0.33) ALDH1A1L3MBTL1LMNAGLAMEN1
SCHEMBL8916271 0.82 CA1 (0.43) ALDH1A1L3MBTL1MEN1KMT2ATSHR
SCHEMBL8917778 0.80 SGK1 (0.39) MCL1
SCHEMBL8917282 0.78 PLAU (0.38)

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