SCHEMBL2898499

SCHEMBL2898499

O=S(=O)(Nc1cc2ccccc2nc1NC1CCCCCC1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
KDM4E B2RXH2 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
PIK3CG P48736 2/20 0.43
PIK3CA P42336 2/20 0.43
LMNA P02545 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
MERTK Q12866 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 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
SCHEMBL1616135 0.75 KMT2A (0.48) ATMKDM4EMEN1KMT2AALDH1A1
SCHEMBL1616101 0.75 KMT2A (0.48) ATMKDM4EMEN1KMT2AALDH1A1
SCHEMBL1791429 0.75 KDM4E (0.56) KDM4ERXFP1MEN1KMT2AALDH1A1
SCHEMBL1616671 0.74 MEN1 (0.49) ATMKDM4ERXFP1MEN1KMT2A
SCHEMBL27947679 0.73 MAPK14 (0.47) KDM4EGAAMAPTLMNAMERTK
SCHEMBL2897916 0.73 GLP1R (0.49) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL7569823 0.72 PTPN1 (0.67) MEN1KMT2AKEAP1NFE2L2CHEK1
SCHEMBL27947673 0.72 MAPK14 (0.48) KDM4EMAPTLMNAMERTKADORA3
SCHEMBL2904674 0.71 PKM (0.39) KDM4ERXFP1MEN1KMT2AALDH1A1
SCHEMBL27947654 0.69 MAPK14 (0.48) KDM4ELMNAMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed