SCHEMBL19687410

SCHEMBL19687410

CNNc1nc(Cl)cc(-n2cccn2)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ADORA2A P29274 8/20 0.37
NOTUM Q6P988 1/20 0.36
KDM6B O15054 6/20 0.35
ADORA1 P30542 3/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
G6PD P11413 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL20416864 0.73 KDM4E (0.46) KDM4EALDH1A1ADORA2ANOTUMADORA1
SCHEMBL19687211 0.73 S1PR2 (0.32) ALDH1A1GAA
SCHEMBL24253941 0.73 KDM4E (0.42) KDM4EALDH1A1ADORA2ANOTUMADORA1
SCHEMBL29976158 0.73 KMT2A (0.49) KDM4EALDH1A1ADORA2ANOTUMADORA1
SCHEMBL19805972 0.73 KMT2A (0.49) KDM4EALDH1A1ADORA2ANOTUMADORA1
SCHEMBL19687411 0.70 IDH1 (0.39) ADORA2AKDM6BADORA1
SCHEMBL21166232 0.68 CYP1A2 (0.57) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL19687409 0.67 ADORA2A (0.61) KDM4EADORA2AMEN1LMNAGAA
SCHEMBL21144033 0.67 ADORA2A (0.54) KDM4EALDH1A1ADORA2ANOTUMADORA1
SCHEMBL16506222 0.67 NOTUM (0.57) KDM4EALDH1A1ADORA2ANOTUMADORA1

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