SCHEMBL11207162

SCHEMBL11207162

CCNc1nc(N2CCNCC2)nc2sc3c(c12)CCC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 5/20 0.55
HTR2C P28335 1/20 0.49
PRKCZ Q05513 4/20 0.47
ALOX15 P16050 3/20 0.45
USP2 O75604 2/20 0.45
LMNA P02545 2/20 0.45
DRD2 P14416 1/20 0.45
PRKCI P41743 6/20 0.44
MAPT P10636 6/20 0.43
HTT P42858 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 2/20 0.43
GLA P06280 2/20 0.43
ATM Q13315 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL11204214 0.98 KDM4E (0.53) KDM4EALDH1A1HTR2CPRKCZALOX15
SCHEMBL11206910 0.97 KDM4E (0.52) KDM4EALDH1A1HTR2CPRKCZALOX15
SCHEMBL11200556 0.88 HTR2C (0.53) KDM4EALDH1A1HTR2CPRKCZDRD2
SCHEMBL11200702 0.87 ALDH1A1 (0.57) KDM4EALDH1A1HTR2CPRKCZALOX15
SCHEMBL11199834 0.86 HTR2C (0.56) KDM4EALDH1A1HTR2CPRKCZALOX15
SCHEMBL11203744 0.85 HTR2C (0.55) KDM4EALDH1A1HTR2CPRKCZALOX15
SCHEMBL11198472 0.84 ALDH1A1 (0.60) KDM4EALDH1A1HTR2CPRKCZALOX15
Hydrochloric Acid SCHEMBL11200060 0.84 ALDH1A1 (0.59) KDM4EALDH1A1HTR2CPRKCZALOX15
SCHEMBL11201180 0.84 ALDH1A1 (0.59) KDM4EALDH1A1HTR2CPRKCZALOX15
SCHEMBL11204226 0.81 ALDH1A1 (0.50) KDM4EALDH1A1ALOX15USP2LMNA

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