SCHEMBL7760879

SCHEMBL7760879

COc1ccc(CSc2ccccc2NC(=O)NCCN)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
HDAC3 O15379 1/20 0.52
NCOR1 O75376 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 2/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
FPR2 P25090 1/20 0.49
HPGD P15428 2/20 0.45
TRPV1 Q8NER1 1/20 0.44
SNCA P37840 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL7760034 0.87 MAPT (0.51) MAPTHDAC3NCOR1HDAC1HDAC2
SCHEMBL7761944 0.82 KMT2A (0.67) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7761717 0.81 KDM4E (0.62) MAPTHDAC3NCOR1HDAC1HDAC2
SCHEMBL7756878 0.80 KDM4E (0.58) HDAC3HDAC1HDAC2KMT2AMEN1
SCHEMBL7756903 0.78 BRD4 (0.53) MAPTHDAC3HDAC1HDAC2KMT2A
SCHEMBL7300289 0.78 MAPT (0.62) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL8495430 0.75 MAPT (0.50) MAPTHDAC3NCOR1HDAC1HDAC2
SCHEMBL7760048 0.73 MAPT (0.50) MAPTHDAC3NCOR1HDAC1HDAC2
SCHEMBL13366908 0.72 CASR (0.63) HDAC1KMT2AMEN1NPC1RAB9A
SCHEMBL8837485 0.72 MAPT (0.44) MAPTHDAC3NCOR1HDAC1HDAC2

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-6541479-B1 Derivatives of thiosalicylic acid and o-aminobenzoic acid MASSACHUSETTS COLLEGE OF PHARMACY 2003-04-01 US disclosed