SCHEMBL22855434

SCHEMBL22855434

CCCCNc1nc2c(-c3c(C)cc(C)cc3C)cccc2s1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RIPK1 Q13546 2/20 0.41
LCK P06239 1/20 0.39
IDO1 P14902 1/20 0.39
GAA P10253 1/20 0.39
BCHE P06276 2/20 0.39
GRIN2B Q13224 2/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPY1R P25929 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL22855169 0.96 CRHR1 (0.43) CRHR1NPC1MEN1KMT2ARIPK1
SCHEMBL22855228 0.83 MEN1 (0.46) CRHR1NPC1MEN1KMT2AIDO1
SCHEMBL29470103 0.83 MEN1 (0.46) CRHR1NPC1MEN1KMT2AIDO1
SCHEMBL22833883 0.82 MEN1 (0.45) CRHR1NPC1MEN1KMT2AGAA
SCHEMBL22855208 0.81 MEN1 (0.52) CRHR1NPC1MEN1KMT2ALCK
SCHEMBL22855441 0.81 MEN1 (0.44) CRHR1NPC1MEN1KMT2AGAA
SCHEMBL27852368 0.79 GAA (0.54) CRHR1NPC1MEN1KMT2ARIPK1
SCHEMBL22855195 0.79 CRHR1 (0.39) CRHR1NPC1MEN1KMT2AGAA
SCHEMBL22855217 0.78 MEN1 (0.39) CRHR1NPC1MEN1KMT2AGAA
SCHEMBL22855202 0.78 MEN1 (0.39) CRHR1NPC1MEN1KMT2ALCK

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