SCHEMBL23133109

SCHEMBL23133109

CCCCNc1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.56
▸ LMNA P02545 1/20 0.49
▸ GPR84 Q9NQS5 10/20 0.43
▸ XDH P47989 1/20 0.41
▸ ATAD2 Q6PL18 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL31506926 0.93 KDM4E (0.54) KDM4EMEN1KMT2AMAPTTAAR1
SCHEMBL23133247 0.82 MEN1 (0.52) KDM4EMEN1KMT2AMAPTTAAR1
SCHEMBL21184262 0.82 MAPT (0.54) KDM4EMEN1KMT2AMAPTTAAR1
SCHEMBL31045646 0.75 CYP3A4 (0.56) KDM4EMEN1KMT2AMAPTTAAR1
SCHEMBL1518339 0.74 MAPT (0.50) KDM4EMEN1KMT2AMAPTTAAR1
SCHEMBL31065716 0.72 MEN1 (1.00) KDM4EMEN1KMT2AMAPTTAAR1
SCHEMBL11879018 0.71 ATAD2 (0.52) KDM4EMEN1KMT2AMAPTTAAR1
SCHEMBL4961428 0.70 LMNA (0.54) KDM4EMEN1KMT2AMAPTTAAR1
SCHEMBL668116 0.70 CYP3A4 (0.51) KDM4EMEN1KMT2AMAPTTAAR1
SCHEMBL356483 0.69 TYMP (0.49) KDM4EATAD2

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-2021055849-A1 HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2021-03-25 — — WO disclosed
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