SCHEMBL7360601

SCHEMBL7360601

CCOC(=O)CN(CCCCc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.44
KCNJ1 P48048 3/20 0.44
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
PPARG P37231 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL7362625 0.93 KCNH2 (0.46) KCNH2KCNJ1KMT2AALDH1A1MAPK1
SCHEMBL7368439 0.87 PDCD1 (0.40) KDM4EPDCD1CD274PPARG
SCHEMBL7363865 0.85 KCNH2 (0.47) KCNH2KCNJ1KMT2AALDH1A1CA12
SCHEMBL7363729 0.82 KCNH2 (0.50) KCNH2KCNJ1KMT2AALDH1A1CA12
SCHEMBL7359452 0.82 PDCD1 (0.44) KMT2ATDP1KDM4EPDCD1CD274
SCHEMBL7365136 0.81 F2 (0.42) KMT2AALDH1A1CA12CA1CA2
SCHEMBL8350250 0.80 KCNH2 (0.46) KCNH2KCNJ1KMT2AALDH1A1TDP1
SCHEMBL7361441 0.80 FFAR1 (0.44) KMT2ATDP1LMNAKDM4EMEN1
SCHEMBL7464051 0.79 PDCD1 (0.42) TDP1KDM4EPDCD1CD274PPARG
SCHEMBL8345485 0.78 KCNH2 (0.47) KCNH2KCNJ1KMT2AALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed