SCHEMBL17834830

SCHEMBL17834830

Bc1c(C)csc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
PKM P14618 1/20 0.53
ATM Q13315 1/20 0.53
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
POLB P06746 2/20 0.49
CYP2C19 P33261 1/20 0.49
HTR1A P08908 1/20 0.48
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
KDM4E B2RXH2 5/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL167302 0.80 MAPT (0.51) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL23022527 0.79 MAPT (0.59) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL3581664 0.78 MAPT (0.50) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL18362869 0.78 MAPT (0.57) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL17834703 0.78 POLB (0.52) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL2987502 0.77 MAPT (0.49) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL7914722 0.77 MAPT (0.49) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL7697418 0.77 MAPT (0.49) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL397136 0.77 MAPT (0.49) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL163725 0.77 KDM4E (0.57) MAPTPKMATMCYP1A2CYP3A4

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-2016092556-A1 7-(MORPHOLINYL)-2-(N-PIPERAZINYL) METHYL THIENO [2, 3-C] PYRIDINE DERIVATIVES AS ANTICANCER DRUGS NATCO PHARMA LIMITED (IN) 2016-06-16 WO disclosed