SCHEMBL19686757

SCHEMBL19686757

CNc1cc(Cl)nc(Cl)c1C

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE10A Q9Y233 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30

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
SCHEMBL24403130 0.78 PGK1 (0.32) PGK1
SCHEMBL31248906 0.77 KMT2A (0.35) PGK1MEN1KMT2AKDM4ECYP2C19
SCHEMBL2767477 0.77 KMT2A (0.35) PGK1MEN1KMT2AKDM4ECYP2C19
SCHEMBL23156371 0.74
SCHEMBL19049647 0.73 TDP1 (0.44) KMT2AKDM4ECYP3A4CYP2C19HIF1A
SCHEMBL11985859 0.72 ALDH1A1 (0.39) MEN1KMT2AKDM4ECYP3A4CYP2C19
SCHEMBL10639171 0.72 PDE10A (0.34) MEN1KMT2AKDM4ECYP3A4CYP2C19
SCHEMBL31396216 0.72 ALDH1A1 (0.39) MEN1KMT2AKDM4ECYP3A4CYP2C19
SCHEMBL12074511 0.71 ALDH1A1 (0.47) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL24402113 0.71 MEN1 (0.33) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2

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-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed