SCHEMBL30436709

SCHEMBL30436709

CN(C)c1ccc(C#Cc2ccc3c4c(cccc24)C(=O)N(CCN)C3=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 4/20 0.46
▸ HEXB P07686 4/20 0.46
▸ MEN1 O00255 7/20 0.42
▸ KMT2A Q03164 7/20 0.42
▸ POLB P06746 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ PABPC1 P11940 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ KEAP1 Q14145 3/20 0.41
▸ NFE2L2 Q16236 3/20 0.41
▸ TLR9 Q9NR96 2/20 0.41
▸ CYP1B1 Q16678 4/20 0.40
▸ USP2 O75604 3/20 0.40
▸ ATM Q13315 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL25417476 1.00 HEXA (0.46) HEXAHEXBMEN1KMT2APOLB
SCHEMBL25421298 0.87 TERT (0.49) HEXAHEXBMEN1KMT2APOLB
SCHEMBL25420920 0.84 APP (0.47) HEXAHEXBMEN1KMT2APOLB
SCHEMBL26555003 0.80 TYMS (0.44) MEN1KMT2APOLBNPC1USP2
SCHEMBL29449407 0.79 MEN1 (0.50) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL26555732 0.78 APP (0.43) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL26556567 0.77 MEN1 (0.53) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL31094030 0.76 MEN1 (0.69) HEXAHEXBMEN1KMT2APOLB
SCHEMBL26053794 0.76 MEN1 (0.69) HEXAHEXBMEN1KMT2APOLB
SCHEMBL25420764 0.74 TERT (0.55) MEN1KMT2APOLBALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185567-A1 NAPHTHALENE MONOIMIDE COMPOUNDS AND METHODS THEREOF Jawaharlal Nehru Centre For Advanced Scientific Research (IN) 2023-05-31 — — EP claimed
EP-4185567-A1 NAPHTHALENE MONOIMIDE COMPOUNDS AND METHODS THEREOF Jawaharlal Nehru Centre For Advanced Scientific Research (IN) 2023-05-31 — — EP disclosed
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