SCHEMBL31336221

SCHEMBL31336221

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ADORA3 P0DMS8 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.46
PTPN1 P18031 1/20 0.43
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
SCHEMBL26601732 1.00 KMT2A (0.47) KMT2AMEN1HSP90AA1RAB9ANPC1
SCHEMBL26608399 0.94 POLB (0.49) KMT2ARAB9ANPC1ADORA3ALDH1A1
SCHEMBL30593142 0.94 POLB (0.49) KMT2ARAB9ANPC1ADORA3ALDH1A1
SCHEMBL26608329 0.91 RAB9A (0.51) KMT2AMEN1HSP90AA1RAB9ANPC1
SCHEMBL26608464 0.91 KMT2A (0.48) KMT2AMEN1HSP90AA1RAB9ANPC1
SCHEMBL31336276 0.91 RAB9A (0.51) KMT2AMEN1HSP90AA1RAB9ANPC1
SCHEMBL31336263 0.91 KMT2A (0.48) KMT2AMEN1HSP90AA1RAB9ANPC1
SCHEMBL26608268 0.90 ADORA3 (0.50) KMT2AMEN1HSP90AA1RAB9ANPC1
SCHEMBL31336249 0.90 ADORA3 (0.50) KMT2AMEN1HSP90AA1RAB9ANPC1
SCHEMBL30593200 0.89 KMT2A (0.47) KMT2AMEN1HSP90AA1RAB9ANPC1

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