SCHEMBL11200730

SCHEMBL11200730

CC(C)c1cc2c(N)nc(N3CCNCC3)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
APAF1 O14727 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
UBE2N P61088 1/20 0.49
HTR2C P28335 1/20 0.40
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
TSHR P16473 1/20 0.38
HRH1 P35367 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2A P28223 1/20 0.36
HRH4 Q9H3N8 5/20 0.36
SCN9A Q15858 1/20 0.35
P2RY12 Q9H244 1/20 0.35

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
SCHEMBL11197408 0.83 KDM4E (0.52) KDM4EALDH1A1APAF1POLBMAPT
SCHEMBL11208313 0.82 HTR2A (0.42) KDM4EALDH1A1APAF1POLBMAPT
Hydrochloric Acid SCHEMBL11206153 0.82 KDM4E (0.51) KDM4EALDH1A1APAF1POLBMAPT
SCHEMBL11208744 0.81 KDM4E (0.38) KDM4EALDH1A1MAPTHTR2AHRH4
SCHEMBL11197610 0.80 P2RY12 (0.52) KDM4EALDH1A1APAF1POLBMAPT
SCHEMBL11205063 0.78 KDM4E (0.47) KDM4EALDH1A1APAF1POLBMAPT
SCHEMBL11205948 0.76 P2RY12 (0.48) KDM4EALDH1A1APAF1POLBMAPT
SCHEMBL11205731 0.76 KDM4E (0.46) KDM4EALDH1A1APAF1POLBMAPT
SCHEMBL11204218 0.72 KDM4E (0.41) KDM4EALDH1A1APAF1POLBMAPT
SCHEMBL11201044 0.71 HTR2C (0.70) KDM4EALDH1A1APAF1POLBMAPT

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