SCHEMBL14293201

SCHEMBL14293201

Nc1c(NC(=O)/C=C/c2cccnc2)sc2c1CCC(COC(=O)NCc1cccnc1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
POLB P06746 4/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
NAMPT P43490 4/20 0.40
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 1/20 0.40
HDAC1 Q13547 4/20 0.39
HDAC4 P56524 3/20 0.39
MEF2D Q14814 1/20 0.39
LMNA P02545 1/20 0.38
AMY1A P0DUB6 1/20 0.38
HTT P42858 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37

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
SCHEMBL14293513 0.91 ALDH1A1 (0.44) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL14292933 0.91 ALDH1A1 (0.41) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL14292386 0.91 ALDH1A1 (0.44) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL12895489 0.91 MGAM (0.40) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL1208399 0.90 PTPN5 (0.47) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL14292931 0.90 ALDH1A1 (0.43) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL14293514 0.89 ALDH1A1 (0.43) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL14293000 0.89 ALDH1A1 (0.43) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL14293190 0.89 ALDH1A1 (0.43) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL14292369 0.89 MAPT (0.38) ALDH1A1MAPTPOLBHPGDMEN1

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-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 WO disclosed