SCHEMBL19993239

SCHEMBL19993239

CNCc1ccc(CF)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
PRMT6 Q96LA8 2/20 0.37
CARM1 Q86X55 1/20 0.37
HTR7 P34969 2/20 0.37
PARP1 P09874 1/20 0.35
SLC6A4 P31645 7/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
HTR2A P28223 4/20 0.35
KCNH2 Q12809 3/20 0.35
TAAR1 Q96RJ0 1/20 0.34
NCF1 P14598 1/20 0.34
NOS1 P29475 2/20 0.34
HTR2C P28335 1/20 0.34
NOS3 P29474 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
SCHEMBL24747257 0.85 LOXL2 (0.38) LOXL2KDM4ECYP3A4MAPTPRMT6
SCHEMBL22882333 0.83 KLKB1 (0.39) LOXL2KDM4ECYP3A4MAPTPRMT6
SCHEMBL506900 0.83 LOXL2 (0.37) LOXL2KDM4ECYP3A4MAPTPRMT6
SCHEMBL1585868 0.79 KDM1A (0.44) LOXL2KDM4ECYP3A4MAPTPRMT6
SCHEMBL5427126 0.79 SLC6A4 (0.49) LOXL2HTR7SLC6A4SLC6A2SLC6A3
SCHEMBL15308657 0.78 TRPA1 (0.40) MAPTALDH1A1TAAR1NOS1NOS3
SCHEMBL16812425 0.76 HTR7 (0.46) LOXL2KDM4ECYP3A4MAPTPRMT6
SCHEMBL15699681 0.76 LOXL2 (0.37) LOXL2KDM4ECYP3A4MAPTPRMT6
SCHEMBL2236823 0.75 NCF1 (0.61) KDM4EPRMT6ALDH1A1NCF1
SCHEMBL8281938 0.74 ALDH1A1 (0.45) LOXL2KDM4ECYP3A4MAPTPRMT6

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-2927214-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed