SCHEMBL31591781

SCHEMBL31591781

N#Cc1c(O)nc(-c2cccnc2)nc1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
RXFP1 Q9HBX9 4/20 0.67
ADORA2A P29274 7/20 0.60
ADORA1 P30542 7/20 0.60
ADORA2B P29275 1/20 0.56
MEN1 O00255 3/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.51
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
IKBKB O14920 1/20 0.46
POLB P06746 1/20 0.46
SQOR Q9Y6N5 1/20 0.45

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
SCHEMBL23852855 1.00 KMT2A (0.71) KMT2ARXFP1ADORA2AADORA1ADORA2B
SCHEMBL22208277 0.87 ADORA1 (0.66) KMT2ARXFP1ADORA2AADORA1ADORA2B
SCHEMBL20570773 0.83 KMT2A (1.00) KMT2ARXFP1ADORA2AADORA1ADORA2B
SCHEMBL23851984 0.83 KMT2A (0.71) KMT2ARXFP1ADORA2AADORA1ADORA2B
SCHEMBL32688280 0.77 ADORA1 (0.58) KMT2AADORA2AADORA1ADORA2BMEN1
SCHEMBL20041347 0.75 ADORA1 (0.77) KMT2ARXFP1ADORA2AADORA1MEN1
SCHEMBL17131839 0.73 ADORA1 (0.53) KMT2AADORA2AADORA1ADORA2BMEN1
SCHEMBL19665238 0.71 ADORA1 (0.69) ADORA2AADORA1ADORA2BHSD17B10
SCHEMBL7100991 0.71 KDM4E (0.58) KMT2ARXFP1ADORA2AADORA1ADORA2B
SCHEMBL25992022 0.71 ADORA1 (0.63) KMT2ARXFP1ADORA2AADORA1ADORA2B

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-113507931-B Compositions and methods for modulating short-chain dehydrogenase activity 卡斯西部储备大学 2025-05-27 CN disclosed