SCHEMBL8318319

SCHEMBL8318319

CCOC(=O)CC(=O)CCc1nc(C)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL15556376 0.88 MAPT (0.52) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL11226276 0.81 CYP4F2 (0.47) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL15554369 0.80 KDM4E (0.40) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL8194412 0.79 HSD17B10 (0.50) MAPTALDH1A1KDM4EHTTTDP1
SCHEMBL11099629 0.76 MAPT (0.37) MAPTALDH1A1KDM4E
SCHEMBL10837611 0.74 MAPT (0.50) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL11433887 0.74 MAPT (0.50) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4766858 0.73 CAPN1 (0.40) MAPTHTTKMT2ASMN1; SMN2
SCHEMBL7159712 0.72 CYP4F2 (0.64) MGAMGAASIMGAM2TDP1
SCHEMBL8319516 0.71 GAA (0.41) HDAC3HDAC1HDAC2HDAC6HDAC5

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-0900223-A1 THIENOPYRIDINE DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1999-03-10 EP disclosed
WO-1997040050-A1 THIENOPYRIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed