SCHEMBL7797376

SCHEMBL7797376

CC1=NC(C(F)(F)F)C(C(=O)N2CCc3cc(C(=O)NO)sc3C2)S1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 15/20 0.55
▸ KDM1A O60341 4/20 0.36
▸ HDAC8 Q9BY41 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ WDR91 A4D1P6 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL7795155 0.74 HDAC6 (0.53) HDAC6KDM1AALDH1A1HPGDWDR91
SCHEMBL1174246 0.72 HDAC6 (1.00) HDAC6KDM1AHDAC8ALDH1A1POLB
SCHEMBL1174257 0.71 HDAC6 (1.00) HDAC6ALDH1A1POLBMEN1NPC1
SCHEMBL7797093 0.71 HDAC6 (0.58) HDAC6KDM1AALDH1A1POLBHPGD
SCHEMBL1173937 0.71 HDAC6 (0.80) HDAC6KDM1ANPC1RAB9A
SCHEMBL7787923 0.71 HDAC6 (0.57) HDAC6KDM1AALDH1A1POLBHPGD
SCHEMBL7801139 0.71 HDAC6 (0.54) HDAC6KDM1AHDAC8ALDH1A1POLB
SCHEMBL1174254 0.71 HDAC6 (0.57) HDAC6KDM1AALDH1A1POLBSMN1; SMN2
SCHEMBL7787392 0.69 HDAC6 (0.61) HDAC6KDM1AHDAC8ALDH1A1POLB
SCHEMBL12868680 0.69 HDAC6 (0.58) HDAC6HDAC8ALDH1A1POLBPKM

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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