SCHEMBL1287296

SCHEMBL1287296

COC(=O)c1ccc(CN(CCCc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
BMP1 P13497 2/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
DAGLA Q9Y4D2 1/20 0.48
CNR2 P34972 1/20 0.48
TAS2R14 Q9NYV8 3/20 0.47
CXCR3 P49682 3/20 0.47
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
MMP1 P03956 1/20 0.45

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
SCHEMBL1169732 0.92 TP53 (0.60) MAPTPOLBMEN1KMT2ABMP1
SCHEMBL1287492 0.89 PSEN1 (0.58) MAPTPOLBMEN1KMT2ATP53
SCHEMBL1287395 0.88 MEN1 (0.69) POLBMEN1KMT2ADAGLATAS2R14
SCHEMBL1287263 0.88 POLB (0.69) MAPTPOLBMEN1KMT2ABMP1
SCHEMBL1169305 0.83 TP53 (0.70) MAPTPOLBMEN1KMT2ATP53
SCHEMBL1170016 0.80 PSEN1 (0.64) MAPTPOLBMEN1KMT2ATP53
SCHEMBL1287503 0.79 TAS2R14 (0.71) POLBMEN1KMT2ATAS2R14CXCR3
SCHEMBL1287322 0.79 MEN1 (0.65) POLBMEN1KMT2ATAS2R14CXCR3
SCHEMBL1169742 0.79 TP53 (0.79) MAPTPOLBMEN1KMT2ATP53
SCHEMBL1169357 0.79 TAS2R14 (0.75) POLBMEN1KMT2ATP53DAGLA

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