SCHEMBL11205682

SCHEMBL11205682

CCc1c(C)sc2nc(N3CCNCC3)nc(NC(C)C)c12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PRKCI P41743 2/20 0.36
HRH1 P35367 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2A P28223 1/20 0.33
SYK P43405 1/20 0.33
CASP1 P29466 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RX3 P56373 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL11202792 0.88 KHK (0.38) KDM4EALDH1A1PRKCIHRH1SMN1; SMN2
SCHEMBL11203905 0.84 PRKCI (0.35) KDM4EALDH1A1PRKCISMN1; SMN2MAPT
SCHEMBL11201865 0.82 ALDH1A1 (0.39) KDM4EALDH1A1PRKCIHRH1SMN1; SMN2
Maleic Acid SCHEMBL11207421 0.82 P2RY12 (0.35) KDM4EALDH1A1SMN1; SMN2HTR2AMAPT
Fumaric Acid SCHEMBL11207423 0.82 P2RY12 (0.35) KDM4EALDH1A1SMN1; SMN2HTR2AMAPT
SCHEMBL11203967 0.80 KDM4E (0.38) KDM4EALDH1A1HRH1SMN1; SMN2USP2
SCHEMBL11197431 0.78 HRH1 (0.40) KDM4EALDH1A1PRKCIHRH1SMN1; SMN2
SCHEMBL11199815 0.78 PDE4A (0.43) PRKCIHRH1SMN1; SMN2USP2TDP1
SCHEMBL11203991 0.76 HTR2A (0.38) KDM4EALDH1A1HRH1SMN1; SMN2USP2
SCHEMBL11205725 0.75 PRKCI (0.46) KDM4EALDH1A1PRKCIHRH1SMN1; 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
EP-0082023-A2 Thienopyrimidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1983-06-22 EP disclosed