SCHEMBL22014435

SCHEMBL22014435

NC(=O)Cc1c(-c2ccccc2)ccc2c1CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
NOTUM Q6P988 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
METAP2 P50579 2/20 0.36
RXRB P28702 2/20 0.36
RXRA P19793 1/20 0.36
RXRG P48443 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCAT2 O15382 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PARP1 P09874 1/20 0.35
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
BACE1 P56817 1/20 0.34
NQO1 P15559 1/20 0.34
ACACA Q13085 1/20 0.34

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
SCHEMBL21962077 0.88 RXRB (0.43) MEN1KMT2AMETAP2RXRBRXRA
SCHEMBL21962126 0.86 MEN1 (0.39) MEN1KMT2AMETAP2RXRBRXRA
SCHEMBL21962078 0.79 MTNR1A (0.45) POLBMEN1KMT2AMETAP2RXRB
SCHEMBL30150902 0.76 MEN1 (0.34) MEN1KMT2ARXRBRXRARXRG
SCHEMBL20698988 0.73 ALDH1A1 (0.41) ATMALDH1A1
SCHEMBL22775438 0.72 ALDH1A1 (0.40) ATMALDH1A1
SCHEMBL21962255 0.72 BCHE (0.42) ALDH1A1PARP1
SCHEMBL25067101 0.71 KMT2A (0.39) KMT2AMETAP2RXRBRXRARXRG
SCHEMBL30150923 0.69 RXRB (0.43) MEN1KMT2ARXRBRXRARXRG
SCHEMBL27801796 0.69 ALDH1A1 (0.48) POLBMEN1KMT2AALDH1A1BCAT2

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-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed