SCHEMBL31035885

SCHEMBL31035885

CCCC(=O)Nc1ccc2c(c1)[nH]c(=O)n2C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.52
▸ KDM4E B2RXH2 5/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ HPGD P15428 4/20 0.51
▸ TERT O14746 6/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ PTPRC P08575 2/20 0.47

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
SCHEMBL10386027 0.85 NLRP3 (0.51) NLRP3KDM4EALDH1A1HPGDTERT
SCHEMBL10998887 0.82 CYP1A2 (0.52) NLRP3KDM4EALDH1A1HPGDTERT
SCHEMBL31312543 0.76 TERT (0.76) KDM4EALDH1A1HPGDTERT
SCHEMBL18687248 0.76 MAPT (0.76) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL14566624 0.75 LMNA (0.53) NLRP3MAPTMEN1LMNAKMT2A
SCHEMBL11548746 0.75 PSMB8 (0.54) NLRP3KDM4EALDH1A1HPGDTERT
SCHEMBL10386822 0.73 KDM4E (0.57) KDM4EALDH1A1HPGDTERTMAPT
SCHEMBL31035886 0.72 MAPT (0.68) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL31036001 0.71 NOTUM (0.59) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL26280001 0.71 LMNA (0.45) NLRP3KDM4EALDH1A1MAPTMEN1

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
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 — — CN disclosed
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