SCHEMBL20445410

SCHEMBL20445410

Clc1ccc(-c2nc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)cc3[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.68
ALDH1A1 P00352 8/20 0.68
HPGD P15428 5/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
MAPT P10636 4/20 0.68
TP53 P04637 3/20 0.68
HSD17B10 Q99714 3/20 0.68
CYP3A4 P08684 1/20 0.68
MAPK1 P28482 1/20 0.68
FTO Q9C0B1 1/20 0.68
NPC1 O15118 9/20 0.64
RAB9A P51151 9/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
GAA P10253 2/20 0.64
APP P05067 1/20 0.64
NFKB1 P19838 1/20 0.64
SNCA P37840 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64

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
SCHEMBL20445296 0.91 NPC1 (0.60) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL197619 0.91 RAB9A (0.72) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7187637 0.88 ALDH1A1 (0.68) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4185889 0.84 KDM4E (0.94) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL14665558 0.84 NPC1 (0.79) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL27442744 0.84 NPC1 (0.70) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8396715 0.84 ALDH1A1 (0.81) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL24295036 0.83 NPC1 (0.84) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL13299660 0.82 NPC1 (0.72) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3929438 0.82 KDM4E (0.60) KDM4EALDH1A1HPGDMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018140504-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS PATEL MANOJ K (US) 2018-08-02 WO disclosed