SCHEMBL31423108

SCHEMBL31423108

O=C(O)c1cc2ccc(C3CCC3)c(-c3cc4ccccc4[nH]c3=O)c2[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.42
▸ KDR P35968 3/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ KDM4E B2RXH2 7/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ HSD17B10 Q99714 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ CAMKK1 Q8N5S9 1/20 0.36

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
SCHEMBL31422933 0.82 KDM4E (0.47) KDRCHEK1KDM4EALDH1A1MEN1
SCHEMBL31423195 0.80 MAOB (0.43) KDM4EALDH1A1HSD17B10TSHRMEN1
SCHEMBL31423010 0.78 CAMKK2 (0.43) KDM4EPOLBCAMKK1CAMKK2MAPT
SCHEMBL31422972 0.78 CAMKK2 (0.43) KDM4EPOLBCAMKK1CAMKK2MAPT
SCHEMBL31423247 0.77 CNR2 (0.40) KDM4EALDH1A1POLBGAAHSD17B10
SCHEMBL31423086 0.76 CNR2 (0.39) KDM4EALDH1A1POLBGAAHSD17B10
SCHEMBL31423039 0.76 CAMKK2 (0.44) KDM4ECAMKK1CAMKK2
SCHEMBL31423292 0.76 CAMKK1 (0.36) ALDH1A1CAMKK1CAMKK2CYP2C9
SCHEMBL31422800 0.76 CNR2 (0.36) KDM4EALDH1A1POLBGAAHSD17B10
SCHEMBL31422779 0.75 CNR2 (0.42) KDM4EALDH1A1POLBGAAHSD17B10

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-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 — — WO disclosed
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