SCHEMBL4587359

SCHEMBL4587359

Cc1cc(-c2ccc(F)cc2)cc(-c2ccsn2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
APP P05067 1/20 0.35
ALDH1A3 P47895 1/20 0.35
MAPK14 Q16539 2/20 0.33
TP53 P04637 1/20 0.33
ACHE P22303 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
ALOX15 P16050 1/20 0.32
GCGR P47871 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32

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
SCHEMBL14814198 0.80 RAB9A (0.44) NPC1RAB9AMEN1KMT2AMAPK14
SCHEMBL12695488 0.78 ACHE (0.52) NPC1RAB9ASMN1; SMN2APPALDH1A3
SCHEMBL6806970 0.73 KMT2A (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6317076 0.72 GPR55 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL19423241 0.67 BCL2L1 (0.48) NPC1RAB9AACHE
SCHEMBL2944704 0.67 BCL2L1 (0.48) NPC1RAB9AACHE
SCHEMBL3725904 0.67 KDM4E (0.50) MEN1KMT2AACHE
SCHEMBL20022133 0.66 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TP53ACHE
SCHEMBL28046976 0.65 ALDH1A3 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL17453342 0.65 MAPK14 (0.40) NPC1RAB9AMEN1KMT2AAPP

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
EP-1556364-A4 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP (KR) 2008-04-16 EP disclosed
EP-1556364-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ Corp. (KR) 2005-07-27 EP disclosed
WO-2004035553-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP. (KR) 2004-04-29 WO disclosed