SCHEMBL8545269

SCHEMBL8545269

CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1C1CC(O)C(O)C1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.58
▸ CCNT1 O60563 2/20 0.50
▸ CDK9 P50750 2/20 0.50
▸ TRPV4 Q9HBA0 15/20 0.41

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
SCHEMBL8592486 1.00 HDAC6 (0.58) HDAC6CCNT1CDK9TRPV4
SCHEMBL7612898 0.93 HDAC6 (0.54) HDAC6CCNT1CDK9TRPV4
SCHEMBL7611703 0.93 HDAC6 (0.54) HDAC6CCNT1CDK9TRPV4
SCHEMBL7611707 0.93 HDAC6 (0.54) HDAC6CCNT1CDK9TRPV4
SCHEMBL8590155 0.83 CCNT1 (0.43) HDAC6CCNT1CDK9
SCHEMBL13641116 0.81 HDAC6 (0.67) HDAC6CCNT1CDK9TRPV4
SCHEMBL16417898 0.81 HDAC6 (0.67) HDAC6CCNT1CDK9TRPV4
SCHEMBL6947829 0.81 HDAC6 (0.67) HDAC6CCNT1CDK9TRPV4
SCHEMBL13640289 0.81 HDAC6 (0.67) HDAC6CCNT1CDK9TRPV4
SCHEMBL16417896 0.81 HDAC6 (0.67) HDAC6CCNT1CDK9TRPV4

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-0886635-A1 2-AMINO-5,6-DICHLOROBENZIMIDAZOLE DERIVATIVES HAVING ANTIVIRAL ACTIVITY GLAXO GROUP LIMITED (GB) 1998-12-30 — — EP disclosed
WO-1997025316-A1 2-AMINO-5,6-DICHLOROBENZIMIDAZOLE DERIVATIVES HAVING ANTIVIRAL ACTIVITY GLAXO GROUP LIMITED (GB) 1997-07-17 — — WO disclosed
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