SCHEMBL30508474

SCHEMBL30508474

Cc1cccn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
PKM P14618 2/20 0.40
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 8/20 0.38
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
GAA P10253 4/20 0.38
HPGD P15428 3/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
HSD17B10 Q99714 3/20 0.38
PABPC1 P11940 1/20 0.38
CASP1 P29466 1/20 0.38
NOTUM Q6P988 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
MPI P34949 1/20 0.37
TP53 P04637 2/20 0.36

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
SCHEMBL30508393 0.81 HTT (0.47) HTTPKMALDH1A1KDM4EGAA
SCHEMBL1658643 0.77 ALDH1A1 (0.55) PKMALDH1A1KDM4ERAB9ANPC1
SCHEMBL15176244 0.76 HTT (0.61) HTT
SCHEMBL15176345 0.76 HTT (0.83) HTT
SCHEMBL30434696 0.76 HTT (0.52) HTTALDH1A1KDM4ERAB9ANPC1
SCHEMBL15176167 0.75 HTT (0.76) HTT
SCHEMBL30434216 0.75 HTT (0.51) HTTKDM4E
SCHEMBL30433590 0.75 HTT (0.51) HTT
SCHEMBL909871 0.75 GSK3B (0.48) HTTPKMALDH1A1KDM4ERAB9A
SCHEMBL15174164 0.75 ALDH1A1 (0.51) HTTPKMALDH1A1KDM4ERAB9A

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-3644996-B1 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2023-07-26 EP claimed