SCHEMBL9874905

SCHEMBL9874905

Cc1nc2cccnc2c(O)c1C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FEN1 P39748 1/20 0.41
ALDH1A1 P00352 3/20 0.41
DHODH Q02127 1/20 0.41
PDE10A Q9Y233 1/20 0.41
P2RX3 P56373 1/20 0.41
COMT P21964 1/20 0.40
LMNA P02545 2/20 0.40
KDR P35968 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL9874891 0.84 HTT (0.54) HTTMAPTGAANPSR1KMT2A
SCHEMBL21730579 0.75 ALDH1A1 (0.50) MAPTNPSR1KDM4ETP53HSD17B10
SCHEMBL13943539 0.75 PRMT5 (0.46) HTTMAPTGAAKMT2AMEN1
SCHEMBL9872674 0.74 ALDH1A1 (0.45) HTTMAPTNPSR1KMT2AMEN1
SCHEMBL20659711 0.73 PDE10A (0.61) HTTMAPTNPSR1KMT2AMEN1
SCHEMBL29810209 0.72 ALDH1A1 (0.46) HTTMAPTKMT2AMEN1KDM4E
SCHEMBL29810203 0.72 ALDH1A1 (0.46) HTTKMT2AMEN1KDM4ETP53
Benzophenone SCHEMBL29065284 0.70 ALDH1A1 (0.61) HTTMAPTKMT2AMEN1KDM4E
SCHEMBL20669628 0.70 PDE10A (0.45) HTTMAPTGAANPSR1KMT2A
SCHEMBL21939918 0.70 PDE10A (0.49) HTTMAPTNPSR1KMT2AKDM4E

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-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed