SCHEMBL27242596

SCHEMBL27242596

COC(=O)c1n[nH]c2c(C)cccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
STAT3 P40763 1/20 0.62
HIF1A Q16665 1/20 0.62
NR4A2 P43354 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.46
KDM4C Q9H3R0 1/20 0.44
FLT3 P36888 1/20 0.43
BRPF1 P55201 1/20 0.41
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
YTHDC1 Q96MU7 1/20 0.40
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
ELANE P08246 1/20 0.39

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
SCHEMBL1216515 0.84 KDM4E (0.59) KDM4ESTAT3HIF1ANR4A2SMN1; SMN2
SCHEMBL5945726 0.84 KDM4E (0.59) KDM4ESTAT3HIF1ANR4A2SMN1; SMN2
SCHEMBL18512242 0.84 KDM4E (0.59) KDM4ESTAT3HIF1ANR4A2SMN1; SMN2
SCHEMBL7356720 0.84 KDM4E (0.59) KDM4ESTAT3HIF1ASMN1; SMN2MAPT
SCHEMBL31647147 0.84 KDM4E (0.59) KDM4ESTAT3HIF1ANR4A2SMN1; SMN2
SCHEMBL16235687 0.81 MCL1 (0.46) KDM4ENR4A2SMN1; SMN2MAPTBRPF1
SCHEMBL16255977 0.80 BRPF1 (0.42) KDM4ESTAT3HIF1ANR4A2SMN1; SMN2
SCHEMBL27242653 0.80 PDK2 (0.54) KDM4ESTAT3HIF1ASMN1; SMN2POLB
SCHEMBL498053 0.77 KDM4E (1.00) KDM4ESTAT3HIF1ASMN1; SMN2MAPT
SCHEMBL29805260 0.77 KDM4E (1.00) KDM4ESTAT3HIF1ASMN1; SMN2MAPT

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
EP-4385980-A1 INDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2024-06-19 EP disclosed