SCHEMBL6183600

SCHEMBL6183600

COc1ccc(C(N)(C(=O)O)S(=O)(=O)c2ncccc2C)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OXTR P30559 9/20 0.37
NNMT P40261 1/20 0.36
AVPR1A P37288 2/20 0.36
AVPR2 P30518 2/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
RAB9A P51151 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CYP2A6 P11509 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
SCHEMBL1036882 0.71 HCRTR1 (0.53) OXTRAVPR1AAVPR2HCRTR1HCRTR2
SCHEMBL6183591 0.68 KMT2A (0.39) OXTRAVPR2MEN1KMT2ATRPM8
SCHEMBL1035908 0.68 KDM4E (0.56) MEN1KMT2ANPC1MAPTSLC22A12
SCHEMBL38656126 0.66 NNMT (0.49) OXTRNNMTMEN1KMT2ANPC1
SCHEMBL22285418 0.65 NNMT (0.47) NNMTMEN1KMT2ANPC1MAPT
SCHEMBL14566915 0.64 NOS3 (0.41) KMT2ANPC1RAB9ACYP2A6
SCHEMBL5091423 0.64 NNMT (0.46) NNMTMEN1KMT2ANPC1MAPT
SCHEMBL1515571 0.63 NNMT (0.46) NNMTNPC1MAPTRAB9AMKNK1
SCHEMBL363152 0.62 KCNN4 (0.45) OXTRNNMTMEN1KMT2ANPC1
SCHEMBL22079377 0.62 NNMT (0.48) NNMTMEN1KMT2ANPC1MAPT

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