SCHEMBL8358459

SCHEMBL8358459

Clc1ccc(CSc2nc3ccc(OCCCCBr)cc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
LMNA P02545 7/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 3/20 0.57
HTT P42858 2/20 0.57
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.42
CSNK1D P48730 1/20 0.41

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
SCHEMBL8357943 0.93 MAPT (0.60) MAPTLMNAL3MBTL1MAPK1TDP1
SCHEMBL8361935 0.88 MAPT (0.60) MAPTLMNAL3MBTL1MAPK1TDP1
SCHEMBL8358027 0.85 MAPT (0.60) MAPTLMNAL3MBTL1MAPK1TDP1
SCHEMBL8356666 0.84 KMT2A (0.48) MAPTKMT2AMEN1NPC1
SCHEMBL8355890 0.84 MAPT (0.61) MAPTLMNAL3MBTL1MAPK1TDP1
SCHEMBL8361623 0.84 MAPT (0.80) MAPTLMNAL3MBTL1MAPK1TDP1
SCHEMBL8359745 0.84 MAPT (0.60) MAPTLMNAL3MBTL1MAPK1TDP1
SCHEMBL8355863 0.84 MAPT (0.60) MAPTLMNAL3MBTL1MAPK1TDP1
SCHEMBL8361504 0.81 NPC1 (0.55) MAPTLMNAL3MBTL1MAPK1TDP1
SCHEMBL8358140 0.81 KMT2A (0.45) LMNAKMT2AALDH1A1CYP1A2CYP3A4

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-5919807-A ANTICHOLESTEROL AGENTS DR. KARL THOMAE GMBH (DE) 1999-07-06 US disclosed
EP-0824529-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-02-25 EP disclosed
WO-1996035681-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-11-14 WO disclosed