SCHEMBL9724161

SCHEMBL9724161

CC(NO)c1ccc(Sc2cccc(Cl)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP7 Q93009 1/20 0.37
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HSD17B2 P37059 3/20 0.34
HSD17B1 P14061 2/20 0.34
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC6A9 P48067 1/20 0.33
ESR1 P03372 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GPR139 Q6DWJ6 2/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL9724102 0.81 ATM (0.46) KDM4EL3MBTL1POLBSLC6A2SLC6A4
SCHEMBL9724112 0.75 ALOX5 (0.53)
SCHEMBL9724100 0.72 KDM4E (0.48) KDM4EPKML3MBTL1USP7TP53
SCHEMBL9724133 0.70 USP7 (0.60) KDM4EPKML3MBTL1USP7POLB
SCHEMBL9724167 0.70 KDM4E (0.46) KDM4EPKML3MBTL1USP7TP53
SCHEMBL12330147 0.69 COASY (0.47) HPGDMEN1KMT2AALDH1A1GPR139
SCHEMBL11392906 0.69 HSD17B1 (0.52) KDM4EPKML3MBTL1USP7TP53
SCHEMBL11521691 0.68 L3MBTL1 (0.68) KDM4EPKML3MBTL1USP7TP53
SCHEMBL9724080 0.67 KDM4E (0.51) KDM4EPKML3MBTL1USP7POLB
SCHEMBL2282611 0.66 POLB (0.56) KDM4EPKML3MBTL1POLBSLC6A2

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
US-5158971-A Antiallergens, antiinflammatory agents LILLY INDUSTRIES LIMITED (GB) 1992-10-27 US disclosed
EP-0459748-A2 Thien-2-yl methylurea derivatives as leukotriene inhibitors LILLY INDUSTRIES LIMITED (GB) 1991-12-04 EP disclosed