SCHEMBL7843300

SCHEMBL7843300

Cc1csc(C(Br)C(=O)c2ccccc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GLA P06280 2/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
NPC1 O15118 3/20 0.39
HTT P42858 1/20 0.38
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7843738 0.86 ELANE (0.38) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL7843867 0.85 CES2 (0.44) CES2CES1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7840811 0.83 RAB9A (0.39) CES2CES1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7845037 0.80 DAO (0.40) CES2CES1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7508732 0.77 NPC1 (0.36) CES2CES1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7847644 0.77 CES2 (0.44) CES2CES1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7833590 0.75 ALDH1A1 (0.38) CES2CES1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7842196 0.74 CES2 (0.46) CES2CES1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7843105 0.72 NPC1 (0.38) CES2CES1KMT2AMEN1NPC1
SCHEMBL7834093 0.71 CES2 (0.41) CES2CES1ALDH1A1SMN1; SMN2KMT2A

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 4 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
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed