SCHEMBL9193640

SCHEMBL9193640

CC(Nc1ccccc1N)c1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.65
▸ HDAC3 O15379 6/20 0.65
▸ HDAC2 Q92769 6/20 0.65
▸ NCOR2 Q9Y618 4/20 0.65
▸ LDHA P00338 3/20 0.51
▸ LDHB P07195 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.44
▸ MAPK13 O15264 1/20 0.44
▸ MAPK12 P53778 1/20 0.44
▸ MAPK11 Q15759 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ ASPH Q12797 1/20 0.44
▸ RIOX2 Q8IUF8 1/20 0.44
▸ KDM8 Q8N371 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ PTGER4 P35408 1/20 0.43

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
SCHEMBL9688475 0.85 HDAC1 (0.59) HDAC1HDAC3HDAC2NCOR2KDM4E
SCHEMBL15722447 0.84 HDAC3 (0.54) HDAC1HDAC3HDAC2NCOR2LDHA
SCHEMBL15722551 0.84 HDAC3 (0.54) HDAC1HDAC3HDAC2NCOR2LDHA
SCHEMBL8353923 0.84 HDAC3 (0.54) HDAC1HDAC3HDAC2NCOR2LDHA
SCHEMBL21427415 0.79 GAA (0.53) HDAC1HDAC3HDAC2NCOR2LDHA
SCHEMBL11259360 0.76 KDM4E (0.58) HDAC1HDAC3HDAC2NCOR2LDHA
SCHEMBL21925191 0.74 LNPEP (0.53) HDAC1HDAC3HDAC2NCOR2LDHA
SCHEMBL9706349 0.74 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2KDM4E
SCHEMBL1983877 0.74 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2KDM4E
SCHEMBL24890548 0.74 HDAC1 (0.74) HDAC1HDAC3HDAC2NCOR2MAPK1

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-0399732-B1 Benzimidazole derivatives ZENECA LTD (GB) 1995-07-26 — — EP disclosed
EP-0399732-A1 Benzimidazole derivatives ZENECA LIMITED (GB) 1990-11-28 — — EP disclosed
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