SCHEMBL7061365

SCHEMBL7061365

COC(=O)NC(=N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
POLB P06746 1/20 0.53
CES1 P23141 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 2/20 0.49
ALOX12 P18054 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CES2 O00748 1/20 0.46

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
SCHEMBL14861314 0.85 MAPT (0.60) MAPK1POLBCES1MEN1KMT2A
SCHEMBL5778212 0.84 MAPK1 (0.50) MAPK1POLBCES1MEN1KMT2A
SCHEMBL7062718 0.80 ALDH1A1 (0.50) MAPK1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7062639 0.80 ALDH1A1 (0.50) MAPK1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7062015 0.79 RAB9A (0.57) CES1MEN1KMT2AALDH1A1RAB9A
SCHEMBL28517308 0.79 MAPK1 (0.55) MAPK1POLBCES1MEN1KMT2A
SCHEMBL2151529 0.79 MAPK1 (0.55) MAPK1POLBCES1MEN1KMT2A
SCHEMBL5313733 0.79 MAPK1 (0.56) MAPK1POLBCES1MEN1KMT2A
SCHEMBL5308303 0.78 MAPK1 (0.47) MAPK1POLBCES1MEN1KMT2A
SCHEMBL19309854 0.78 MAPK1 (0.55) MAPK1POLBCES1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102746-B1 SUBSTITUTED PHENYLAMIDINES WITH ANTITHROMBOTIC ACTION BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-14 EP disclosed
US-6242466-B1 ANTICOAGULANTS, ANTITUMOR, ANTIMETASTASIS, ANTICARCINOGENIC, AND ANTIINFLAMMATORY AGENTS; BONE DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-05 US disclosed
EP-1102746-A1 SUBSTITUTED PHENYLAMIDINES WITH ANTITHROMBOTIC ACTION BOEHRINGER INGELHEIM KG (DE) 2001-05-30 EP disclosed
WO-2000005207-A1 SUBSTITUTED PHENYLAMIDINES WITH ANTITHROMBOTIC ACTION BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-02-03 WO disclosed