SCHEMBL5776093

SCHEMBL5776093

N#Cc1ccc(N)c(NCCCl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KAT2B Q92831 1/20 0.39
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.32
HDAC3 O15379 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
IDO1 P14902 1/20 0.32
HDAC1 Q13547 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CDK2 P24941 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL20571616 0.83 KAT2B (0.42) KDM4EALDH1A1GAAKAT2BCCNC
SCHEMBL20571668 0.83 KDM4E (0.41) KDM4EALDH1A1GAAKAT2BCCNC
SCHEMBL14421587 0.83 KDM4E (0.41) KDM4EALDH1A1GAAKAT2BCCNC
SCHEMBL29484071 0.83 KDM4E (0.41) KDM4EALDH1A1GAAKAT2BCCNC
SCHEMBL763192 0.81 KAT2B (0.43) KDM4EALDH1A1GAAKAT2BMAPT
SCHEMBL20571076 0.80 PTGER4 (0.46) KDM4EALDH1A1GAAKAT2BCCNC
SCHEMBL4245750 0.80 KDM4E (0.38) KDM4EALDH1A1GAAKAT2BCCNC
SCHEMBL8252221 0.80 KAT2B (0.42) KDM4EALDH1A1GAAKAT2BHDAC3
SCHEMBL4242451 0.80 NCF1 (0.45) KDM4EALDH1A1GAAKAT2BSLC6A2
SCHEMBL3070346 0.79 LMNA (0.45) KDM4EALDH1A1GAAKAT2BLOXL2

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-1326864-B1 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMA (JP) 2006-03-15 EP disclosed