SCHEMBL22855441

SCHEMBL22855441

Cc1cc(C)c(-c2cccc3sc(NCSI)nc23)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
NPC1 O15118 2/20 0.44
CRHR1 P34998 4/20 0.37
HTT P42858 1/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRNP P04156 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL29470103 0.83 MEN1 (0.46) MEN1KMT2ANPC1CRHR1HTT
SCHEMBL22855228 0.83 MEN1 (0.46) MEN1KMT2ANPC1CRHR1HTT
SCHEMBL22833883 0.82 MEN1 (0.45) MEN1KMT2ANPC1CRHR1HTT
SCHEMBL22855434 0.81 CRHR1 (0.44) MEN1KMT2ANPC1CRHR1GAA
SCHEMBL22855208 0.81 MEN1 (0.52) MEN1KMT2ANPC1CRHR1HTT
SCHEMBL22855169 0.80 CRHR1 (0.43) MEN1KMT2ANPC1CRHR1GAA
SCHEMBL22855201 0.78 CRHR1 (0.43) MEN1KMT2ANPC1CRHR1HTT
SCHEMBL22855217 0.78 MEN1 (0.39) MEN1KMT2ANPC1CRHR1HTT
SCHEMBL22855202 0.78 MEN1 (0.39) MEN1KMT2ANPC1CRHR1HTT
SCHEMBL29470130 0.78 MEN1 (0.39) MEN1KMT2ANPC1CRHR1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020263790-A1 OLEFIN POLYMERIZATION CATALYSTS BEARING A THIAZOLE OR IMIDAZOLE DOW GLOBAL TECHNOLOGIES LLC (US) 2020-12-30 WO disclosed