SCHEMBL7678569

SCHEMBL7678569

CC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
MAPT P10636 5/20 0.56
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
APAF1 O14727 1/20 0.55
RECQL P46063 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
FAAH O00519 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
KCNT1 Q5JUK3 1/20 0.51

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
SCHEMBL7674750 0.89 POLB (0.59) POLBCTDSP1MAPTKDM4EMEN1
SCHEMBL7838780 0.86 POLB (0.73) POLBCTDSP1MAPTKDM4EMEN1
SCHEMBL7677339 0.85 POLB (0.69) POLBCTDSP1MAPTKDM4EMEN1
SCHEMBL7677004 0.84 POLB (0.67) POLBCTDSP1MAPTKDM4EMEN1
SCHEMBL7678136 0.84 POLB (0.67) POLBCTDSP1MAPTKDM4EMEN1
SCHEMBL7675824 0.84 MMP9 (0.58) POLBCTDSP1MAPTKDM4EMEN1
SCHEMBL7671347 0.83 KMT2A (0.68) POLBCTDSP1MAPTKDM4EMEN1
SCHEMBL7678311 0.83 POLB (0.65) POLBCTDSP1MAPTKDM4EMEN1
SCHEMBL7677381 0.82 POLB (0.67) POLBCTDSP1MAPTKDM4EMEN1
SCHEMBL27334246 0.82 MAPT (0.61) MAPTKDM4EMEN1KMT2AALDH1A1

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
US-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 US disclosed
EP-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed