SCHEMBL740491

SCHEMBL740491

COCCCNc1cc(C#N)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.44
EGLN2 Q96KS0 3/20 0.43
KAT2B Q92831 1/20 0.40
MAPT P10636 4/20 0.37
LMNA P02545 1/20 0.37
NCF1 P14598 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
HDAC3 O15379 1/20 0.36
HSD17B10 Q99714 3/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL20571076 0.91 PTGER4 (0.46) PTGER4EGLN2KAT2BMAPTLMNA
SCHEMBL763192 0.84 KAT2B (0.43) KAT2BMAPTALDH1A1KDM4EGAA
SCHEMBL29484071 0.80 KDM4E (0.41) KAT2BLMNAALDH1A1KDM4EGAA
SCHEMBL14421587 0.80 KDM4E (0.41) KAT2BLMNAALDH1A1KDM4EGAA
SCHEMBL24320215 0.79 PTGER4 (0.56) PTGER4EGLN2KAT2BMAPTLMNA
SCHEMBL8252221 0.79 KAT2B (0.42) KAT2BMAPTALDH1A1KDM4EGAA
SCHEMBL8317776 0.79 PTGER4 (0.51) PTGER4KAT2BMAPTLMNAALDH1A1
SCHEMBL763898 0.79 PTGER4 (0.48) PTGER4MAPTALDH1A1KDM4EGAA
SCHEMBL3775668 0.78 PTGER4 (0.47) PTGER4MAPTLMNANCF1ALDH1A1
SCHEMBL742145 0.78 PTGER4 (0.47) PTGER4MAPTLMNAALDH1A1KDM4E

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