SCHEMBL26080097

SCHEMBL26080097

C=C(Nc1cc(C)ccc1C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 3/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BRD4 O60885 1/20 0.45
LMNA P02545 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL23717895 0.82 MEN1 (0.50) ALDH1A1MEN1KMT2AGAAMAPK1
SCHEMBL14297356 0.79 TP53 (0.51) ALDH1A1MEN1KMT2AGAAMAPK1
SCHEMBL91073 0.78 GAA (0.53) ALDH1A1GAABRD4LMNAHDAC3
SCHEMBL21212233 0.77 NPC1 (0.53) ALDH1A1GAAMAPK1LMNARAB9A
SCHEMBL14431757 0.77 GAA (0.47) ALDH1A1MEN1KMT2AGAABRD4
SCHEMBL26422970 0.76 ALOX15 (0.40) ALDH1A1MEN1KMT2AMAPK1LMNA
SCHEMBL26080323 0.76 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL22087169 0.74 NLRP3 (0.50) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL24408376 0.74 GAA (0.44) ALDH1A1MEN1KMT2AGAABRD4
SCHEMBL2308213 0.73 GAA (0.56) ALDH1A1MEN1KMT2AGAABRD4

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
US-20230312877-A1 NON-HALOGENATED MULTI-MELAMINE FLAME-RETARDANT COMPOUNDS AND SALTS THEREOF AND PROCESSES FOR THEIR PREPARATION STATE OF ISRAEL, PRIME MINISTER'S OFFICE, ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2023-10-05 US disclosed