SCHEMBL7799817

SCHEMBL7799817

CCn1c(C(=O)N2Cc3cc(C(=O)NO)sc3C2)c(Cl)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.43
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HDAC1 Q13547 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
SCHEMBL12883329 0.87 HDAC6 (0.47) HDAC6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7796078 0.79 HDAC6 (0.59) HDAC6
SCHEMBL7793652 0.79 HDAC6 (0.59) HDAC6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1174178 0.69 HDAC6 (0.62) HDAC6HDAC1
SCHEMBL12883241 0.68 HDAC6 (0.53) HDAC6KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL7797509 0.66 HDAC6 (0.46) HDAC6HDAC1
SCHEMBL1174045 0.66 HDAC6 (0.78) HDAC6KDM4EALDH1A1HPGDPKM
SCHEMBL7796577 0.63 HDAC1 (0.49) HDAC6KDM4EALDH1A1HPGDKMT2A
SCHEMBL1174506 0.62 HDAC6 (0.61) HDAC6
SCHEMBL1174227 0.62 HDAC6 (0.65) HDAC6ALDH1A1SMN1; SMN2

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-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — WO disclosed
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