SCHEMBL9819207

SCHEMBL9819207

N#Cc1ccc(NC(=O)C(C#N)C(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.49
IDO1 P14902 2/20 0.47
MLYCD O95822 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
NLRP3 Q96P20 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
IL18 Q14116 1/20 0.41
S1PR3 Q99500 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL9819202 0.93 KMT2A (0.46) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL9819214 0.93 GSK3B (0.51) GSK3BIDO1MLYCDMAPTLMNA
SCHEMBL9819100 0.88 MEN1 (0.48) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9818833 0.88 MEN1 (0.48) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9819392 0.86 CNR1 (0.47) GSK3BMAPTLMNAMEN1KMT2A
SCHEMBL9819381 0.86 ALDH1A1 (0.48) MAPTLMNATSHRHTTNLRP3
SCHEMBL9818917 0.86 ALDH1A1 (0.48) MAPTLMNATSHRHTTNLRP3
SCHEMBL9819032 0.83 MLYCD (0.52) GSK3BMLYCDRAB9ANPC1HDAC1
SCHEMBL9819035 0.83 MLYCD (0.52) GSK3BMLYCDRAB9ANPC1HDAC1
SCHEMBL9819128 0.83 GSK3B (0.46) GSK3BMAPTRAB9AKDM4ENPC1

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-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 US disclosed