SCHEMBL8546253

SCHEMBL8546253

O=C(O)CCc1c(C(=O)c2ccccc2-n2cnnn2)oc2cc(Cl)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
NPC1 O15118 1/20 0.36
F9 P00740 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8550683 0.87 DGAT2 (0.41) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL8307605 0.70 MAPK1 (0.39) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL615685 0.70 F11 (0.53) F11MASP2KLKB1
SCHEMBL4437800 0.69 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL8308344 0.68 ALDH1A1 (0.47) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL9000063 0.67 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL13245154 0.67 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1KDM4ESMN1; SMN2
SCHEMBL29792718 0.66 MYC (0.51) F11ALDH1A1MEN1KMT2AUSP2
SCHEMBL3006745 0.66 MYC (0.51) F11ALDH1A1MEN1KMT2AUSP2
SCHEMBL4925703 0.65 NPC1 (0.58) ALDH1A1MAPTNPSR1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623607-B1 Benzofuranyl-and-thiophenyl-alkanecarboxyclic acid derivatives BAYER AG (DE) 1998-07-15 EP disclosed
US-5504213-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
EP-0623607-A1 Benzofuranyl-and-thiophenyl-alkanecarboxyclic acid derivatives BAYER AG (DE) 1994-11-09 EP disclosed