SCHEMBL10987331

SCHEMBL10987331

CSc1c(N)nc(NC(C)C)nc1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
F2 P00734 1/20 0.34
LMNA P02545 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 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
SCHEMBL10987790 0.87 GAA (0.54) GAATDP1KMT2AALDH1A1KDM4E
SCHEMBL10984567 0.80 HTR1A (0.50) KMT2ALMNAHTR1ADRD2POLB
SCHEMBL3426125 0.78 GAA (0.52) GAATDP1KMT2AALDH1A1KDM4E
SCHEMBL10987363 0.76 LMNA (0.50) GAAKMT2ALMNAL3MBTL1
SCHEMBL10987750 0.74 GAA (0.42) GAATDP1ALDH1A1L3MBTL1
SCHEMBL10982815 0.74 APP (0.42) GAATDP1
SCHEMBL11443757 0.71 GAA (0.48) GAATDP1KMT2AALDH1A1KDM4E
SCHEMBL10834487 0.71 MAPT (0.36) GAATDP1KMT2AALDH1A1KDM4E
SCHEMBL134467 0.71 HSP90AB1 (0.35) TDP1KMT2AALDH1A1LMNAHTR1A
SCHEMBL10989493 0.71 CDK1 (0.32) ALDH1A1HTR1ADRD2

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-4528026-A 2-(Or4-)amino-5-alkylthio-pyrimidine herbicides PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1985-07-09 US disclosed