SCHEMBL8357941

SCHEMBL8357941

Fc1ccc(Cc2nc3ccc(OCCBr)cc3s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
APP P05067 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CACNA1B Q00975 2/20 0.39
AURKB Q96GD4 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 1/20 0.39
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8355815 0.88 KMT2A (0.47) MAPTHTTL3MBTL1KMT2ANPC1
SCHEMBL8516569 0.87 MAPT (0.44) MAPTHTTL3MBTL1TDP1KMT2A
SCHEMBL8359973 0.85 LMNA (0.60) MAPTHTTL3MBTL1TDP1KMT2A
SCHEMBL8361601 0.85 MAPT (0.65) MAPTHTTL3MBTL1TDP1KMT2A
SCHEMBL8357917 0.85 HTT (0.48) MAPTHTTL3MBTL1TDP1KMT2A
SCHEMBL8355856 0.82 APP (0.65) MAPTHTTL3MBTL1TDP1KMT2A
SCHEMBL8359637 0.82 NPC1 (0.58) NPC1RAB9AAURKBTSHR
SCHEMBL8516070 0.82 LTA4H (0.47) MAPTHTTL3MBTL1TDP1KMT2A
SCHEMBL8361637 0.81 NPC1 (0.60) NPC1RAB9AAURKBTSHR
SCHEMBL8358140 0.81 KMT2A (0.45) KMT2ALMNACYP2D6CYP1A2AURKB

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