SCHEMBL31336249

SCHEMBL31336249

CCOC(=O)c1c(C)nc(Cl)c(C)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.50
KDM4E B2RXH2 4/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GRM6 O15303 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL26608268 1.00 ADORA3 (0.50) ADORA3KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL31336276 0.91 RAB9A (0.51) ADORA3KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL26608329 0.91 RAB9A (0.51) ADORA3KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL26601732 0.90 KMT2A (0.47) ADORA3KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL31336221 0.90 KMT2A (0.47) ADORA3KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL31336263 0.86 KMT2A (0.48) ADORA3KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL26608464 0.86 KMT2A (0.48) ADORA3KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL26608487 0.86 RAB9A (0.46) ADORA3KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL31336300 0.86 RAB9A (0.46) ADORA3KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL31336225 0.84 KMT2A (0.47) ADORA3KDM4ERAB9ASMN1; SMN2LMNA

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-119546580-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-02-28 CN disclosed