SCHEMBL7795830

SCHEMBL7795830

O=C(NO)c1cc2c(s1)CN(C(=O)C1C=CSC1)CC2

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.64
▸ KDM1A O60341 4/20 0.38
▸ ALDH1A1 P00352 5/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ WDR91 A4D1P6 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MCHR1 Q99705 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
SCHEMBL1174257 0.78 HDAC6 (1.00) HDAC6ALDH1A1CYP1A2CYP2C19POLB
SCHEMBL1173937 0.77 HDAC6 (0.80) HDAC6KDM1A
SCHEMBL1174246 0.73 HDAC6 (1.00) HDAC6KDM1AALDH1A1CYP1A2CYP2C19
SCHEMBL7787392 0.73 HDAC6 (0.61) HDAC6KDM1AALDH1A1CYP1A2CYP2C19
SCHEMBL7796736 0.73 HDAC6 (0.60) HDAC6KDM1AALDH1A1POLBPKM
SCHEMBL7797020 0.72 HDAC6 (0.57) HDAC6KDM1AALDH1A1POLBPKM
SCHEMBL1175119 0.71 HDAC6 (0.59) HDAC6KDM1AALDH1A1
SCHEMBL7796967 0.71 HDAC6 (0.71) HDAC6ALDH1A1CYP1A2CYP2C19POLB
SCHEMBL7797093 0.71 HDAC6 (0.58) HDAC6KDM1AALDH1A1CYP1A2CYP2C19
SCHEMBL1174038 0.71 HDAC6 (0.61) HDAC6KDM1AALDH1A1HPGD

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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