SCHEMBL7787392

SCHEMBL7787392

CN1C=CCC1C(=O)N1CCc2cc(C(=O)NO)sc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 14/20 0.61
▸ WDR91 A4D1P6 1/20 0.37
▸ KDM1A O60341 5/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PRNP P04156 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL7796736 0.80 HDAC6 (0.60) HDAC6WDR91KDM1AMCHR1ALDH1A1
SCHEMBL7867209 0.79 HDAC6 (0.60) HDAC6KDM1AHDAC8
SCHEMBL1174257 0.76 HDAC6 (1.00) HDAC6ALDH1A1POLBPKMNPC1
SCHEMBL1173937 0.75 HDAC6 (0.80) HDAC6KDM1ANPC1RAB9A
SCHEMBL7787923 0.75 HDAC6 (0.57) HDAC6WDR91KDM1AMCHR1ALDH1A1
SCHEMBL1174246 0.74 HDAC6 (1.00) HDAC6WDR91KDM1AALDH1A1POLB
SCHEMBL7795830 0.73 HDAC6 (0.64) HDAC6WDR91KDM1AMCHR1ALDH1A1
SCHEMBL7797093 0.72 HDAC6 (0.58) HDAC6WDR91KDM1AALDH1A1POLB
SCHEMBL7796842 0.71 HDAC6 (0.60) HDAC6KDM1AMCHR1ALDH1A1POLB
SCHEMBL7797020 0.71 HDAC6 (0.57) HDAC6WDR91KDM1AMCHR1ALDH1A1

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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