SCHEMBL8797071

SCHEMBL8797071

O=C(Nc1nccs1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.62
RAB9A P51151 9/20 0.62
SMN1; SMN2 Q16637 5/20 0.59
MAPT P10636 2/20 0.59
BRD4 O60885 1/20 0.59
KCNMA1 Q12791 1/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
RECQL P46063 1/20 0.59
POLB P06746 1/20 0.58
ESR2 Q92731 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GCK P35557 1/20 0.58
METAP2 P50579 1/20 0.56
METAP1 P53582 1/20 0.56
SCD O00767 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL28801036 0.84 NPC1 (0.72) NPC1RAB9ASMN1; SMN2MAPTKCNMA1
SCHEMBL16073076 0.83 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTKCNMA1
Bromide SCHEMBL27908399 0.83 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTKCNMA1
SCHEMBL4756204 0.82 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2MAPTBRD4
SCHEMBL8797043 0.81 RAB9A (0.62) NPC1RAB9ASMN1; SMN2MAPTBRD4
SCHEMBL14018616 0.81 RAB9A (0.72) NPC1RAB9ASMN1; SMN2MAPTBRD4
SCHEMBL6918581 0.79 GRM5 (0.59) NPC1RAB9ASMN1; SMN2MAPTBRD4
SCHEMBL7693536 0.79 MAPT (0.74) NPC1RAB9ASMN1; SMN2MAPTKCNMA1
SCHEMBL6918311 0.79 GRM5 (0.53) NPC1RAB9ASMN1; SMN2GCKHPGD
SCHEMBL15116290 0.79 KMT2A (0.74) SMN1; SMN2MAPTMEN1KMT2ALMNA

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-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