SCHEMBL4687144

SCHEMBL4687144

O=C(O)Oc1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 13/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ PDE10A Q9Y233 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NFKB1 P19838 1/20 0.37

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
SCHEMBL27624772 0.92 F10 (0.41) F10KDM4EALDH1A1SMN1; SMN2GLA
SCHEMBL8346713 0.85 F10 (0.47) F10KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL27605913 0.84 CA2 (0.46) F10KDM4EALDH1A1GAANPSR1
SCHEMBL3863014 0.81 CSNK2A2 (0.49) F10KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL8346380 0.78 GAA (0.50) F10KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL3861744 0.78 F10 (0.47) F10KDM4EALDH1A1MEN1KMT2A
SCHEMBL13759438 0.75 F10 (0.43) F10HDAC6
SCHEMBL8344703 0.75 ALDH1A1 (0.46) F10KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3865007 0.74 F10 (0.40) F10KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL8346424 0.74 SIRT2 (0.55) KDM4EALDH1A1SMN1; SMN2MEN1LMNA

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-1558247-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-02-20 — — EP disclosed
EP-1558247-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GmbH (DE) 2005-08-03 — — EP disclosed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 — — WO disclosed
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