SCHEMBL8916165

SCHEMBL8916165

COc1ccc2c(ccc3cnn(NS(=O)(=O)c4cc(C(F)(F)F)ccc4Cl)c32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GLA P06280 1/20 0.40
SGK1 O00141 4/20 0.38
NPBWR1 P48145 1/20 0.37
MDM2 Q00987 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
MCL1 Q07820 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NTRK1 P04629 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL8917282 0.90 PLAU (0.38) SGK1PLAUPLATAKR1C3AKR1C2
SCHEMBL8917485 0.89 ALDH1A1 (0.49) LMNAALDH1A1L3MBTL1GLAMCL1
SCHEMBL8917798 0.88 MCL1 (0.47) LMNAALDH1A1L3MBTL1GLASGK1
SCHEMBL8917459 0.87 MCL1 (0.41) LMNAALDH1A1L3MBTL1GLAMCL1
SCHEMBL8918579 0.86 ALDH1A1 (0.40) LMNAALDH1A1L3MBTL1GLAMCL1
SCHEMBL8920658 0.84 ALDH1A1 (0.39) LMNAALDH1A1L3MBTL1GLAMCL1
SCHEMBL8917188 0.83 PLAU (0.48) LMNAALDH1A1L3MBTL1PLAUPLAT
SCHEMBL8916678 0.78 SGK1 (0.38) LMNAALDH1A1L3MBTL1GLASGK1
SCHEMBL8917778 0.77 SGK1 (0.39) SGK1MCL1
SCHEMBL8917334 0.76 MEN1 (0.42) LMNAALDH1A1L3MBTL1GLAPLAU

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