SCHEMBL1287273

SCHEMBL1287273

O=C(O)c1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.89
▸ KMT2A Q03164 3/20 0.89
▸ POLB P06746 1/20 0.89
▸ TAS2R14 Q9NYV8 14/20 0.81
▸ CXCR3 P49682 2/20 0.81
▸ TP53 P04637 1/20 0.60
▸ PTGES O14684 2/20 0.60
▸ TAS2R8 Q9NYW2 1/20 0.59
▸ CNR1 P21554 1/20 0.57
▸ CNR2 P34972 1/20 0.57
▸ TBXA2R P21731 1/20 0.57
▸ TBXAS1 P24557 1/20 0.57

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
SCHEMBL1287301 0.94 MEN1 (1.00) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287314 0.94 MEN1 (0.77) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287284 0.91 MEN1 (0.73) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287378 0.91 MEN1 (0.73) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287496 0.90 MEN1 (0.93) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1168758 0.90 TAS2R14 (1.00) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1279324 0.90 TAS2R14 (1.00) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287315 0.88 MEN1 (0.70) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287407 0.88 TAS2R14 (0.81) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287395 0.88 MEN1 (0.69) MEN1KMT2APOLBTAS2R14CXCR3

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
Send feedback