SCHEMBL7843738

SCHEMBL7843738

Cc1csc(C(Br)C(=O)c2ccccc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.38
PLAU P00749 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
DAO P14920 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
XIAP P98170 1/20 0.33
ERCC5 P28715 1/20 0.33

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
SCHEMBL7843300 0.86 CES2 (0.41) NPC1RAB9AMAPTTP53MEN1
SCHEMBL7840811 0.86 RAB9A (0.39) ELANEPLAUNPC1RAB9AMAPT
SCHEMBL7845037 0.82 DAO (0.40) NPC1RAB9ADAOMEN1LMNA
SCHEMBL7843105 0.78 NPC1 (0.38) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL7833590 0.77 ALDH1A1 (0.38) SLC6A3DAOHPGDMEN1LMNA
SCHEMBL7842196 0.77 CES2 (0.46) NPC1RAB9ADAOHPGDMAPT
SCHEMBL7843947 0.73 CES2 (0.41) NPC1RAB9ADAOHPGD
SCHEMBL7847644 0.73 CES2 (0.44) NPC1RAB9ASLC6A2SLC6A3HPGD
SCHEMBL28629683 0.71 SLC6A2 (0.49) ELANEPLAUNPC1RAB9ASLC6A2
SCHEMBL7846601 0.71 ALDH1A1 (0.49) NPC1RAB9AMAPTTP53MEN1

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-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed