SCHEMBL24744942

SCHEMBL24744942

COCCOCCCn1c(C)nc2c(C)cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.50
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPY1R P25929 3/20 0.38
CASR P41180 1/20 0.38
HPGD P15428 4/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CXCR5 P32302 1/20 0.38

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
SCHEMBL24745731 0.82 KDM4E (0.42) LMNATP53HTTSMN1; SMN2MAPT
SCHEMBL9847099 0.79 TLR8 (0.72) TLR8TP53HTTSMN1; SMN2MAPT
SCHEMBL8016313 0.79 TLR8 (0.67) TLR8LMNATP53HTTSMN1; SMN2
SCHEMBL9847098 0.75 TLR8 (0.57) TLR8LMNAHTTSMN1; SMN2MAPT
SCHEMBL24744940 0.72 MAPT (0.41) LMNATP53HTTMAPTALDH1A1
SCHEMBL31090549 0.72 MAPT (0.41) LMNATP53HTTMAPTALDH1A1
SCHEMBL5371056 0.72 SMN1; SMN2 (0.63) LMNATP53HTTSMN1; SMN2ALDH1A1
SCHEMBL5374092 0.72 SMN1; SMN2 (0.63) LMNATP53HTTSMN1; SMN2ALDH1A1
SCHEMBL5377374 0.72 SMN1; SMN2 (0.63) LMNATP53HTTSMN1; SMN2ALDH1A1
SCHEMBL5381431 0.72 SMN1; SMN2 (0.63) LMNATP53HTTSMN1; SMN2ALDH1A1

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
WO-2022253713-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 WO disclosed