SCHEMBL6827185

SCHEMBL6827185

NCc1oc(-c2cccnc2)nc1S(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.49
PKM P14618 2/20 0.49
MAPK1 P28482 3/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
F2 P00734 1/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
CA2 P00918 1/20 0.44
USP2 O75604 1/20 0.43
USP1 O94782 1/20 0.43
USP8 P40818 1/20 0.43

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
SCHEMBL7696673 0.88 ALDH1A1 (0.58) ALDH1A1HPGDMAPK1TSHRNPSR1
SCHEMBL7694684 0.80 TP53 (0.65) ALDH1A1HPGDPOLBTSHRHSD17B10
SCHEMBL7702036 0.80 MAPT (0.62) ALDH1A1HPGDMAPK1TSHRNPSR1
SCHEMBL7697083 0.78 ALDH1A1 (0.55) ALDH1A1HPGDMAPK1TSHRNPSR1
SCHEMBL7539415 0.78 KMT2A (0.67) ALDH1A1HPGDPOLBPKMMAPK1
SCHEMBL7663107 0.75 ALDH1A1 (0.47) ALDH1A1HPGDMAPK1TSHRNPSR1
SCHEMBL7701107 0.72 C1R (0.46) ALDH1A1HPGDMAPK1TSHRNPSR1
SCHEMBL7700611 0.71 MAPT (0.60) ALDH1A1HPGDMAPK1TSHRNPSR1
SCHEMBL7694580 0.71 MEN1 (0.52) ALDH1A1HPGDPOLBMAPK1TSHR
SCHEMBL7702622 0.70 ALDH1A1 (0.59) ALDH1A1HPGDMAPK1TSHRNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737426-B1 SUCH AS (4-PHENYLSULFONYL-2-PYRIDIN-3-YL-OXAZOL-5-YL)-METHYLAMINE; ANTICONVULSANTS, ANTIINFLAMMATORIES, NEURO-PROTECTANTS, CEREBROPROTECTANTS, NOOTROPICS MERCK PATENT GMBH (DE) 2004-05-18 US disclosed
EP-1233963-A2 NOVEL SULFONYL OXAZOLE AMINES MERCK PATENT GmbH (DE) 2002-08-28 EP disclosed
WO-2001038316-A2 SULFONYL OXAZOLE AMINES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS MERCK PATENT GMBH (DE) 2001-05-31 WO disclosed