SCHEMBL1287601

SCHEMBL1287601

COc1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.46
TAS2R14 Q9NYV8 5/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
MMP3 P08254 1/20 0.44
CXCR3 P49682 2/20 0.43
MAPT P10636 1/20 0.42
BMP1 P13497 1/20 0.42

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
SCHEMBL1287448 0.84 CXCR3 (0.57) POLBMEN1KMT2AALDH1A1TAS2R14
SCHEMBL1287293 0.82 MEN1 (0.60) POLBMEN1KMT2ATAS2R14CXCR3
SCHEMBL1287415 0.81 TP53 (0.61) POLBMEN1KMT2AALDH1A1TAS2R14
SCHEMBL1287414 0.79 TAS2R14 (0.69) POLBMEN1KMT2ATAS2R14CNR2
SCHEMBL2474708 0.76 BACE1 (0.52) POLBMEN1KMT2AALDH1A1TAS2R14
SCHEMBL1287330 0.75 MEN1 (0.64) POLBMEN1KMT2AALDH1A1TAS2R14
SCHEMBL1287514 0.74 TAS2R14 (0.50) ALDH1A1TAS2R14TP53GAAMAPT
SCHEMBL22908331 0.74
SCHEMBL1287263 0.74 POLB (0.69) POLBMEN1KMT2ATAS2R14TP53
SCHEMBL1675487 0.74 PSEN1 (0.46) MEN1KMT2AALDH1A1PSEN1PSEN2

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
WO-2012047926-A2 SULFONAMIDE-CONTAINING COMPOUNDS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-04-12 WO disclosed