SCHEMBL9724167

SCHEMBL9724167

ONCCc1ccc(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
POLB P06746 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
USP7 Q93009 1/20 0.34
TP53 P04637 3/20 0.34
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
FBP1 P09467 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
RHEB Q15382 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
DHFR P00374 1/20 0.31

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
SCHEMBL9724100 0.86 KDM4E (0.48) KDM4EPKML3MBTL1POLBSLC6A2
SCHEMBL9724113 0.75 KDM4E (0.41) KDM4EPKML3MBTL1POLBSLC6A2
SCHEMBL9724082 0.72 ALOX5 (0.43) KDM4EPKML3MBTL1POLBSLC6A2
SCHEMBL9724161 0.70 KDM4E (0.46) KDM4EPKML3MBTL1POLBSLC6A2
SCHEMBL9724107 0.69 KDM4E (0.36) KDM4EPKML3MBTL1
SCHEMBL11392906 0.69 HSD17B1 (0.52) KDM4EPKML3MBTL1POLBUSP7
SCHEMBL9724093 0.68 MEN1 (0.33) L3MBTL1POLBMEN1ALDH1A1HPGD
SCHEMBL11521691 0.68 L3MBTL1 (0.68) KDM4EPKML3MBTL1POLBSLC6A2
SCHEMBL9724133 0.68 USP7 (0.60) KDM4EPKML3MBTL1POLBSLC6A2
SCHEMBL9724091 0.68 DAO (0.35) USP7FBP1DHFRTYMS

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