SCHEMBL6294348

SCHEMBL6294348

C=C(C)Cn1c(=S)[nH]c(=O)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.42
PARP1 P09874 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MPO P05164 4/20 0.41
TSHR P16473 2/20 0.40
TSPO P30536 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3540980 0.82 KDM4E (0.60) ALDH1A1LMNAKDM4EMPO
SCHEMBL11932742 0.79 KDM4E (0.60) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL6299167 0.77 GAA (0.52) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL15356177 0.76 KDM4E (0.57) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL6299171 0.75 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDHTTKDM4E
SCHEMBL11852024 0.75 APOBEC3G (0.62) ALDH1A1SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL11983439 0.72 PARP1 (0.56) PARP1KDM4ETSPO
SCHEMBL9280731 0.72 KDM4E (0.45) ALDH1A1SMN1; SMN2HPGDHTTPARP1
SCHEMBL17383212 0.72 RXFP1 (0.56) ALDH1A1HPGDHTTPARP1KDM4E
SCHEMBL22700984 0.71 HTT (0.69) ALDH1A1SMN1; SMN2HPGDHTTLMNA

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-6872727-B1 Polycyclic pyrimidine -2,4(1H,3H)-diones with functionalized alkyl residues at the 1- and/or 3-position(s); methods for their synthesis and pharmaceutical preparation PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2005-03-29 US disclosed