SCHEMBL11201044

SCHEMBL11201044

Nc1nc(N2CCNCC2)nc2sccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.70
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
APAF1 O14727 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
UBE2N P61088 1/20 0.48
ADORA2A P29274 2/20 0.43
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
SCN9A Q15858 1/20 0.42
HRH1 P35367 1/20 0.42
HTR3A P46098 2/20 0.41
HRH4 Q9H3N8 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41

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
SCHEMBL11205604 0.79 HTR2C (0.65) HTR2CALDH1A1KDM4EHTR3AHRH4
SCHEMBL654362 0.77 HTR2C (0.61) HTR2CHRH1HRH4
SCHEMBL11200457 0.76 HTR2C (0.61) HTR2CALDH1A1KDM4EFLT3
SCHEMBL11201872 0.75 GAA (0.53) HTR2CALDH1A1HPGDKDM4EMAPT
SCHEMBL11197408 0.74 KDM4E (0.52) HTR2CALDH1A1HPGDKDM4EAPAF1
Hydrochloric Acid SCHEMBL11206153 0.73 KDM4E (0.51) HTR2CALDH1A1HPGDKDM4EAPAF1
SCHEMBL29648806 0.73 HTR2C (0.57) HTR2CFLT3
SCHEMBL11817813 0.73 ALDH1A1 (0.70) ALDH1A1HPGDKDM4EAPAF1POLB
SCHEMBL30575992 0.73 ALDH1A1 (0.70) ALDH1A1HPGDKDM4EAPAF1POLB
SCHEMBL793832 0.73 HTR2C (0.57) HTR2CALDH1A1HPGDKDM4EHRH1

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 2 patents. 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 claimed
EP-0082023-A2 Thienopyrimidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1983-06-22 EP disclosed