SCHEMBL7947629

SCHEMBL7947629

COc1cc(OC)c(SNC(=O)Nc2ccc(NC(=O)c3ccccc3N)cc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FADS1 O60427 2/20 0.47
KMT2A Q03164 6/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
PNLIP P16233 1/20 0.44
MEN1 O00255 4/20 0.43
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
PTGS1 P23219 1/20 0.42
KDR P35968 1/20 0.42
KLKB1 P03952 1/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 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
SCHEMBL7950787 0.84 HTT (0.59) MAPTRAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL7939052 0.81 ALDH1A1 (0.49) MAPTHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL7945542 0.80 ALDH1A1 (0.67) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7946627 0.78 KMT2A (0.59) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7939040 0.78 NPC1 (0.56) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL6816002 0.77 MAPT (0.59) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7938939 0.76 MAPT (0.56) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL6816009 0.73 KDM4E (0.53) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7945458 0.73 MAPT (0.48) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7939128 0.73 LMNA (0.52) MAPTNPC1RAB9ASMN1; SMN2KMT2A

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
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed