SCHEMBL16404162

SCHEMBL16404162

O=C(c1cc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c[nH]1)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.55
ATP4B P51164 2/20 0.55
RAB9A P51151 7/20 0.47
NPC1 O15118 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
EIF4E P06730 2/20 0.46
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL14315465 0.89 ATP4A (0.52) ATP4AATP4BRAB9ANPC1MEN1
SCHEMBL16404009 0.89 ATP4A (0.54) ATP4AATP4BRAB9ANPC1MEN1
SCHEMBL14224920 0.86 ATP4A (0.60) ATP4AATP4BRAB9ANPC1MEN1
SCHEMBL16404018 0.86 ATP4A (0.51) ATP4AATP4BRAB9ANPC1EIF4E
SCHEMBL16404005 0.85 ATP4A (0.59) ATP4AATP4BRAB9ANPC1MEN1
SCHEMBL16404003 0.85 ATP4A (0.61) ATP4AATP4BRAB9ANPC1MEN1
SCHEMBL14224923 0.85 ATP4A (0.59) ATP4AATP4BRAB9ANPC1EIF4E
SCHEMBL14224968 0.85 ATP4A (0.59) ATP4AATP4BRAB9ANPC1MEN1
SCHEMBL14224939 0.85 ATP4A (0.61) ATP4AATP4BRAB9ANPC1MEN1
SCHEMBL16404001 0.84 EIF4E (0.57) RAB9ANPC1MEN1KMT2APTPRF

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-2718290-B1 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CLEVEXEL PHARMA (FR) 2016-05-04 EP disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed