SCHEMBL9869941

SCHEMBL9869941

CNc1nn(-c2ccc(Cl)cc2)c(C)cc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.50
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AURKA O14965 1/20 0.42
SYK P43405 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPY5R Q15761 1/20 0.39
PTGS2 P35354 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL9871775 0.84 MAPK1 (0.59) RIPK1MAPK1
SCHEMBL9871057 0.77 RIPK1 (0.49) RIPK1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL122207 0.75 MAPK1 (0.76) RIPK1POLBMAPK1
SCHEMBL10756366 0.74 RIPK1 (0.61) RIPK1POLBMAPK1MEN1KMT2A
SCHEMBL10812821 0.74 MAPK1 (0.74) RIPK1POLBMAPK1
SCHEMBL10761439 0.74 RIPK1 (0.60) RIPK1MAPK1PTGS2
SCHEMBL12770967 0.73 POLB (0.64) POLBMAPK1NPC1GAARAB9A
Potassium Ion SCHEMBL2691671 0.72 RIPK1 (0.59) RIPK1MAPK1PTGS2
SCHEMBL10812826 0.72 RIPK1 (0.59) RIPK1MAPK1PTGS2
SCHEMBL9870858 0.72 POLB (0.65) POLBKMT2ANPY5R

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
US-5059599-A Anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1991-10-22 US disclosed