SCHEMBL793853

SCHEMBL793853

Cc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 7/20 0.49
ACLY P53396 3/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
LNPEP Q9UIQ6 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
RAB9A P51151 1/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
PFKFB4 Q16877 1/20 0.38

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
SCHEMBL793762 0.89 PFKFB3 (0.47) PFKFB3MAPTLMNATP53THRB
SCHEMBL793284 0.86 ALDH1A1 (0.52) PFKFB3MAPTKMT2ALNPEPRAB9A
SCHEMBL794260 0.86 PFKFB3 (0.53) PFKFB3MAPTLMNAKMT2ALNPEP
SCHEMBL794222 0.85 PFKFB3 (0.56) PFKFB3LNPEPPFKFB4
SCHEMBL794362 0.85 PFKFB3 (0.68) PFKFB3MAPTLMNATP53THRB
SCHEMBL793550 0.85 MAPT (0.56) PFKFB3MAPTLMNATP53THRB
SCHEMBL792880 0.84 PFKFB3 (0.54) PFKFB3MAPTLMNATP53THRB
SCHEMBL794311 0.83 PFKFB3 (0.65) PFKFB3MAPTLMNATP53THRB
SCHEMBL793409 0.82 PFKFB3 (0.55) PFKFB3ACLYLMNATHRBKMT2A
SCHEMBL793555 0.81 PFKFB3 (0.66) PFKFB3MAPTLMNATP53THRB

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-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 EP disclosed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 WO disclosed