SCHEMBL15549262

SCHEMBL15549262

CC(C)(C)c1nccc2c(Br)ccc(S(N)(=O)=O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 1/20 0.36
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
MAPK10 P53779 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA9 Q16790 7/20 0.33
CA12 O43570 6/20 0.33
CA14 Q9ULX7 3/20 0.33
MAPK1 P28482 1/20 0.32
LDHA P00338 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1B1 Q16678 1/20 0.30
AXL P30530 1/20 0.30
CSNK2A1 P68400 1/20 0.30
HIPK2 Q9H2X6 1/20 0.30
TET2 Q6N021 1/20 0.30

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
SCHEMBL10690230 0.77 HPGD (0.40) FTOCA1CA2CA4CA6
SCHEMBL10414792 0.71 CA2 (0.36) FTOCA1CA2CA9CA12
SCHEMBL858994 0.69 CA1 (0.53) FTOCA1CA2CA4CA6
SCHEMBL19792921 0.67 AXL (0.58) FTOCA1CA2RXFP1CA9
SCHEMBL10691036 0.67 CA2 (0.38) FTOCA1CA2CA4CA6
SCHEMBL2812310 0.64 NPC1 (0.40) CA1CA2CA4CA6CA9
SCHEMBL15514563 0.63 LDHA (0.64) FTOCA1CA2CA4CA6
SCHEMBL28777820 0.61 TDP1 (0.35) CA2MEN1KMT2A
SCHEMBL18417638 0.61 NOS2 (0.41) MEN1KMT2A
SCHEMBL5357524 0.61 CA2 (0.38) FTOCA1CA2CA4CA6

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-2855440-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] Phenex Pharmaceuticals AG (DE) 2015-04-08 EP disclosed
WO-2013178362-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2013-12-05 WO disclosed