SCHEMBL6766834

SCHEMBL6766834

CCC(=O)c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL20647004 0.89 GRIK1 (0.51) MAPTKMT2AMEN1KDM4EHSD17B10
SCHEMBL6763737 0.86 MAPT (0.50) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL13062695 0.84 MEN1 (0.47) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL6112937 0.82 PTPN1 (0.47) MAPTGAAKMT2AMEN1SMYD3
SCHEMBL4194809 0.82 ALDH1A1 (0.58) MAPTALDH1A1GAAKMT2AMEN1
Hydrochloric Acid SCHEMBL7034749 0.81 GAA (0.54) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL27735957 0.80 MAPT (0.40) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL1119917 0.79 MAPT (0.57) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL8543066 0.79 KDM4E (0.44) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL6767250 0.78 RAB9A (0.64) MAPTALDH1A1GAAKMT2AMEN1

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
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed