SCHEMBL6183808

SCHEMBL6183808

CCC(C(=O)NCc1nccs1)N(c1ccc(C)cc1)S(=O)(=O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.42
▸ KMT2A Q03164 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GPR88 Q9GZN0 1/20 0.35
▸ CSF1R P07333 1/20 0.34

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
SCHEMBL6203784 0.84 TDP1 (0.39) KMT2AMEN1
SCHEMBL1076640 0.76 KMT2A (0.49) KMT2AMEN1POLBSMN1; SMN2GLA
SCHEMBL1076948 0.72 HCRTR1 (0.44) HCRTR2
SCHEMBL1040151 0.71 HCRTR2 (0.72) HCRTR2TP53TRPM8
SCHEMBL28194605 0.70 POLB (0.57) KMT2AKDM4EMEN1POLBSMN1; SMN2
SCHEMBL18939315 0.67 GAA (0.61) KMT2AKDM4EMEN1POLBSMN1; SMN2
SCHEMBL12484617 0.67 PTGER1 (0.54) KMT2AMEN1TP53
SCHEMBL1078296 0.67 PTGER1 (0.44) KMT2AMEN1POLBSMN1; SMN2
SCHEMBL1076164 0.66 ALDH1A1 (0.54) HCRTR2KMT2A
SCHEMBL6199052 0.65 HIF1A (0.42) KMT2AMEN1SMN1; SMN2TRPM8

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-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 — — EP disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 — — WO disclosed
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