SCHEMBL31336263

SCHEMBL31336263

CCOC(=O)c1c(Cl)nc(C)c(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
KDM4E B2RXH2 5/20 0.48
RAB9A P51151 4/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.47
ADORA3 P0DMS8 3/20 0.45
PKM P14618 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 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
SCHEMBL26608464 1.00 KMT2A (0.48) KMT2AMEN1HSP90AA1KDM4ERAB9A
SCHEMBL26608195 0.94 KMT2A (0.46) KMT2AMEN1HSP90AA1KDM4ERAB9A
SCHEMBL30593190 0.94 KMT2A (0.46) KMT2AMEN1HSP90AA1KDM4ERAB9A
SCHEMBL26608329 0.93 RAB9A (0.51) KMT2AMEN1HSP90AA1KDM4ERAB9A
SCHEMBL31336276 0.93 RAB9A (0.51) KMT2AMEN1HSP90AA1KDM4ERAB9A
SCHEMBL26601732 0.91 KMT2A (0.47) KMT2AMEN1HSP90AA1KDM4ERAB9A
SCHEMBL31336221 0.91 KMT2A (0.47) KMT2AMEN1HSP90AA1KDM4ERAB9A
SCHEMBL31336225 0.90 KMT2A (0.47) KMT2AMEN1HSP90AA1KDM4ERAB9A
SCHEMBL30593200 0.90 KMT2A (0.47) KMT2AMEN1HSP90AA1KDM4ERAB9A
SCHEMBL26608252 0.90 KMT2A (0.47) KMT2AMEN1HSP90AA1KDM4ERAB9A

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