SCHEMBL7362209

SCHEMBL7362209

N#Cc1ccc(NCC(=O)N2CCCCC2Cc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MAPT P10636 3/20 0.42
PKM P14618 2/20 0.42
LMNA P02545 1/20 0.42
KAT2B Q92831 1/20 0.42
HSD11B1 P28845 1/20 0.41
DPP4 P27487 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PREP P48147 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
PARP14 Q460N5 1/20 0.38
KCNH2 Q12809 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL7370375 0.83 KMT2A (0.54) KMT2AMAPTPKMLMNASMN1; SMN2
SCHEMBL6189909 0.72 KAT2B (0.50) KMT2AMAPTPKMLMNAKAT2B
SCHEMBL24993978 0.70 KAT2B (0.63) KMT2AMAPTPKMLMNAKAT2B
SCHEMBL4464340 0.69 KAT2B (0.56) KMT2AMAPTPKMLMNAKAT2B
SCHEMBL4964339 0.69 HSD11B1 (0.61) KMT2AHSD11B1DPP4MEN1NPC1
SCHEMBL4629395 0.69 HSD11B1 (0.61) KMT2AHSD11B1DPP4MEN1NPC1
SCHEMBL11544206 0.69 KAT2B (0.65) KMT2AMAPTPKMLMNAKAT2B
SCHEMBL5767127 0.68 PKM (0.61) KMT2AMAPTPKMLMNAKAT2B
Hydrochloric Acid SCHEMBL29238125 0.68 HSD11B1 (0.60) KMT2AHSD11B1DPP4MEN1NPC1
SCHEMBL5881547 0.68 KAT2B (0.60) KMT2AMAPTPKMLMNAKAT2B

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
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO disclosed