SCHEMBL7370375

SCHEMBL7370375

N#Cc1ccc(NCC(=O)N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
GAA P10253 1/20 0.52
HTT P42858 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
MGLL Q99685 2/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
FAAH O00519 1/20 0.48
THRB P10828 1/20 0.46
CCR3 P51677 3/20 0.45
STAT3 P40763 1/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL7362209 0.83 KMT2A (0.48) KMT2ASMN1; SMN2LMNAMEN1MAPT
SCHEMBL6635 0.74 KMT2A (0.52) KMT2ALMNAMAPTMAPK1PKM
SCHEMBL6637 0.74 KMT2A (0.52) KMT2ALMNAMAPTMAPK1PKM
SCHEMBL4577310 0.74 FAAH (0.68) KMT2ASMN1; SMN2ALDH1A1MEN1FAAH
SCHEMBL4576833 0.72 CCR3 (0.61) MGLLCCR3
SCHEMBL24993978 0.72 KAT2B (0.63) KMT2ALMNAALDH1A1MAPTPKM
SCHEMBL5881547 0.72 KAT2B (0.60) KMT2AHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL4578958 0.71 CCR3 (0.59) KMT2AMEN1CCR3
SCHEMBL31200424 0.71 KAT2B (0.51) KMT2AHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL6189909 0.70 KAT2B (0.50) KMT2AGAASMN1; SMN2LMNAALDH1A1

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
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
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
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US 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