SCHEMBL22138752

SCHEMBL22138752

CC1Cc2c(NS(=O)(=O)N(C)C)ccc(Cl)c2N=C1Nc1cc(C(F)(F)F)ccn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAP3K12 Q12852 11/20 0.35
TEAD1 P28347 1/20 0.34
MCL1 Q07820 1/20 0.33
MAPK1 P28482 1/20 0.33
KIF11 P52732 3/20 0.33
DLK1 P80370 1/20 0.33
ADRA2A P08913 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL9942448 0.73 LMNA (0.41) ALDH1A1LMNAGLAL3MBTL1MAP3K12
SCHEMBL9943626 0.71 ALDH1A1 (0.42) ALDH1A1LMNAGLAL3MBTL1TEAD1
SCHEMBL9943489 0.63 CLK1 (0.40) ALDH1A1LMNAGLAL3MBTL1
SCHEMBL30834860 0.59 ALDH1A1 (0.47) ALDH1A1LMNAGLAL3MBTL1MAPK1
SCHEMBL15301848 0.58 PIK3C3 (0.38) PIK3CAMTOR
SCHEMBL22135115 0.58 SYK (0.39) ALDH1A1LMNAGLAL3MBTL1MAP3K12
SCHEMBL14768765 0.58 NOS3 (0.52) ALDH1A1L3MBTL1MAPK1KIF11
SCHEMBL27482604 0.57 CA2 (0.50) ALDH1A1LMNAGLAL3MBTL1MAPK1
SCHEMBL22747550 0.57 AR (0.40) ALDH1A1L3MBTL1MAP3K12TEAD1KIF11
SCHEMBL22718250 0.57 TEAD1 (0.43) ALDH1A1L3MBTL1MAP3K12TEAD1KIF11

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
EP-3669874-A1 QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF CANCER ABIVAX (FR) 2020-06-24 EP disclosed