SCHEMBL30436778

SCHEMBL30436778

C[N+](C)(C)CCN1C(=O)c2cccc3c(C#Cc4ccccc4)ccc(c23)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 3/20 0.55
▸ CYP1B1 Q16678 6/20 0.45
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ KEAP1 Q14145 2/20 0.41
▸ NFE2L2 Q16236 2/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ RGS12 O14924 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NFKB1 P19838 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
SCHEMBL25420764 1.00 TERT (0.55) TERTCYP1B1MEN1KMT2AMAPT
SCHEMBL25421298 0.88 TERT (0.49) TERTCYP1B1MEN1KMT2AMAPT
SCHEMBL26556567 0.87 MEN1 (0.53) CYP1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL17185506 0.77 MAPT (0.54) CYP1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL29449407 0.77 MEN1 (0.50) CYP1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL16272346 0.74 KMT2A (0.66) TERTCYP1B1MEN1KMT2AMAPT
SCHEMBL30436709 0.74 HEXA (0.46) CYP1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL25417476 0.74 HEXA (0.46) CYP1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL2364432 0.73 TERT (0.72) TERTMEN1KMT2A
SCHEMBL18069192 0.73 KMT2A (0.46) MEN1KMT2AMAPTALDH1A1POLB

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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