SCHEMBL8130397

SCHEMBL8130397

Nc1ccc(-c2nc3ccc(-c4ccc(Cl)cc4)cc3[nH]2)cc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.65
KMT2A Q03164 11/20 0.65
ALDH1A1 P00352 8/20 0.65
MAPT P10636 8/20 0.65
NPC1 O15118 7/20 0.65
HPGD P15428 6/20 0.65
KDM4E B2RXH2 6/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
RAB9A P51151 6/20 0.65
GAA P10253 6/20 0.65
TP53 P04637 4/20 0.65
HSD17B10 Q99714 3/20 0.65
NFKB1 P19838 2/20 0.65
APP P05067 1/20 0.65
SNCA P37840 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
MCL1 Q07820 1/20 0.65
POLB P06746 5/20 0.60
USP2 O75604 3/20 0.60

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
SCHEMBL8130390 0.89 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL7652960 0.87 KDM4E (0.61) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL8174405 0.87 KDM4E (0.61) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL412846 0.84 MEN1 (0.74) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL2361964 0.82 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL7652411 0.79 MMP13 (0.73) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL20445410 0.79 KDM4E (0.68) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL7187637 0.79 ALDH1A1 (0.68) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL26731643 0.79 MEN1 (1.00) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL8396715 0.78 ALDH1A1 (0.81) MEN1KMT2AALDH1A1MAPTNPC1

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-1054870-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-11-29 EP disclosed
WO-1999041241-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-08-19 WO disclosed