SCHEMBL4003909

SCHEMBL4003909

O=CC=Cc1cccn1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
ATM Q13315 2/20 0.47
ALDH1A1 P00352 8/20 0.44
MAPT P10636 6/20 0.43
KMT2A Q03164 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HTT P42858 6/20 0.41
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 4/20 0.41

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
SCHEMBL4003906 1.00 PKM (0.49) PKMATMALDH1A1MAPTKMT2A
SCHEMBL12120933 0.84 ATM (0.67) PKMATMALDH1A1MAPTKMT2A
SCHEMBL1419333 0.82 ATM (0.69) PKMATMALDH1A1MAPTKMT2A
SCHEMBL4004085 0.81 ATM (0.45) PKMATMALDH1A1MAPTKMT2A
SCHEMBL4004092 0.81 ATM (0.45) PKMATMALDH1A1MAPTKMT2A
SCHEMBL1233089 0.78 PKM (0.47) PKMATMALDH1A1MAPTKMT2A
SCHEMBL1233090 0.78 PKM (0.47) PKMATMALDH1A1MAPTKMT2A
SCHEMBL9904825 0.76 MAPT (0.68) PKMATMALDH1A1MAPTKMT2A
SCHEMBL9904823 0.76 MAPT (0.68) PKMATMALDH1A1MAPTKMT2A
SCHEMBL12123691 0.75 GRIN2D (0.47) PKMALDH1A1MAPTKMT2ATDP1

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
WO-2009074157-A1 FULLY-MODIFIED PHENYL PYRROLE AMINOGUANIDINES ACTION PHARMA A/S (DK) 2009-06-18 WO disclosed