SCHEMBL31336166

SCHEMBL31336166

O=C(Cc1ccccc1)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.51
XDH P47989 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.43
IDO1 P14902 1/20 0.40
BRAF P15056 1/20 0.39
PNP P00491 2/20 0.39
KMT2A Q03164 1/20 0.38
RNASEH1 O60930 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ADORA2A P29274 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
PABPC1 P11940 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
CASP7 P55210 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL985622 0.78 ADORA2B (0.51) ADORA2BXDHSMN1; SMN2KMT2AALDH1A1
SCHEMBL6358016 0.77 PNP (0.57) ADORA2BXDHPNPKMT2ARNASEH1
SCHEMBL7035603 0.75 ADORA2B (0.55) ADORA2BXDHSMN1; SMN2PNPKMT2A
SCHEMBL3085104 0.75 LMNA (0.52) ADORA2BXDHKMT2AALDH1A1ADORA2A
SCHEMBL31265613 0.72 MAPT (0.40) ADORA2BXDHSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7221071 0.71 MAPT (0.49) ADORA2BXDHALDH1A1ADORA2AKDM4E
SCHEMBL8884684 0.71 MAPT (0.47) ADORA2BXDHKMT2AALDH1A1ADORA2A
SCHEMBL6555062 0.71 MAPT (0.52) ADORA2BXDHPNPKMT2AALDH1A1
SCHEMBL28870894 0.70 ADORA2B (0.44) ADORA2BXDHALDH1A1ADORA2AKDM4E
SCHEMBL3304711 0.70 PNP (0.60) ADORA2BXDHSMN1; SMN2PNPKMT2A

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
CN-113009122-B Methods and systems for determining the risk of autism spectrum disorder 美国控股实验室公司 2025-01-17 CN disclosed