SCHEMBL5808541

SCHEMBL5808541

CCOC(=O)c1cnc(SC)nc1C(=O)OCC.CCOC(=O)c1cnc(SC)nc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 5/20 0.56
HPGD P15428 2/20 0.56
ALDH1A1 P00352 7/20 0.54
TDP1 Q9NUW8 2/20 0.54
POLB P06746 1/20 0.54
SYK P43405 2/20 0.51
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
FOS P01100 1/20 0.48
JUN P05412 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL188686 0.93 MAPT (0.61) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL29506595 0.93 MAPT (0.61) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL5768489 0.92 MEN1 (0.66) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL31338486 0.84 MEN1 (0.63) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL14633377 0.84 MEN1 (0.63) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL20649220 0.84 MEN1 (0.63) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL18673593 0.83 MAPT (0.51) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL31338477 0.82 MEN1 (0.60) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL14633589 0.82 MEN1 (0.60) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL7017546 0.81 ALDH1A1 (0.54) MEN1KMT2AMAPTHPGDALDH1A1

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-1625130-A2 HIV INTEGRASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2006-02-15 EP disclosed
WO-2004096807-A2 HIV INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-11-11 WO disclosed