SCHEMBL1017338

SCHEMBL1017338

COCCSc1ccccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.47
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 7/20 0.46
HPGD P15428 4/20 0.46
POLB P06746 2/20 0.46
ALOX12 P18054 2/20 0.46
TDP1 Q9NUW8 4/20 0.45
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
KDM4A O75164 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL1263353 0.83 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDPOLBALOX12
SCHEMBL1399350 0.82 KCNA5 (0.44) KCNA5POLBKDM4AKMT2ALMNA
SCHEMBL4477248 0.81 KCNA5 (0.49) KCNA5ALDH1A1HPGDPOLBKDM4A
SCHEMBL7363894 0.81 KCNA5 (0.45) KCNA5POLBKDM4AKMT2ALMNA
SCHEMBL8018113 0.79 KCNA5 (0.56) KCNA5POLBKDM4AKMT2ALMNA
SCHEMBL30159605 0.79 KCNA5 (0.56) KCNA5POLBKDM4AKMT2ALMNA
SCHEMBL2061998 0.76 KCNA5 (0.54) KCNA5ALDH1A1HPGDPOLBKDM4A
SCHEMBL3417084 0.74 HPGD (0.60) ALDH1A1HPGDKMT2AGAA
SCHEMBL6874894 0.74 KCNA5 (0.52) KCNA5POLBTDP1KDM4AKMT2A
SCHEMBL5792738 0.74 KCNA5 (0.52) KCNA5HSD17B10POLBKDM4ALMNA

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
EP-2271624-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed