SCHEMBL763192

SCHEMBL763192

CCCCNc1cc(C#N)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.43
TLR8 Q9NR97 5/20 0.42
TLR7 Q9NYK1 2/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MGLL Q99685 2/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR4A2 P43354 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL29484071 0.90 KDM4E (0.41) KAT2BTLR8TLR7ABCB1ABCG2
SCHEMBL14421587 0.90 KDM4E (0.41) KAT2BTLR8TLR7ABCB1ABCG2
SCHEMBL740491 0.84 PTGER4 (0.44) KAT2BKDM4EALDH1A1GAAHSD17B10
SCHEMBL3070346 0.83 LMNA (0.45) KAT2BKDM4EALDH1A1GAACYP3A4
SCHEMBL8252221 0.83 KAT2B (0.42) KAT2BKDM4EALDH1A1GAATSHR
SCHEMBL5776093 0.81 KDM4E (0.41) KAT2BDRD2DRD3KDM4EALDH1A1
SCHEMBL20571668 0.81 KDM4E (0.41) KAT2BKDM4EALDH1A1GAACYP2C19
SCHEMBL20571616 0.81 KAT2B (0.42) KAT2BKDM4EALDH1A1GAAMAPT
SCHEMBL20571076 0.80 PTGER4 (0.46) KAT2BKDM4EALDH1A1GAAMAPT
SCHEMBL4245750 0.80 KDM4E (0.38) KAT2BDRD2DRD3KDM4EALDH1A1

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed