SCHEMBL9338258

SCHEMBL9338258

CCc1ccc(C(=O)C=Cc2ccc(SC)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.71
LMNA P02545 7/20 0.71
KMT2A Q03164 5/20 0.71
MEN1 O00255 3/20 0.71
ALDH1A1 P00352 3/20 0.71
RAB9A P51151 2/20 0.71
GAA P10253 2/20 0.71
CASP3 P42574 1/20 0.71
SENP8 Q96LD8 1/20 0.71
SENP7 Q9BQF6 1/20 0.71
SENP6 Q9GZR1 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.69
NPC1 O15118 1/20 0.69
NFKB1 P19838 1/20 0.69
HTT P42858 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
NPSR1 Q6W5P4 2/20 0.69
KDM4E B2RXH2 2/20 0.69
POLB P06746 1/20 0.69

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
SCHEMBL9338253 1.00 MAPT (0.71) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL11815663 0.89 MAPT (0.87) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL9915661 0.89 MAPT (0.87) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL28850948 0.89 MAOB (0.77) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL11815668 0.89 MAPT (0.87) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL11994844 0.89 MAOB (0.77) MAPTLMNAKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL11816321 0.88 MAPT (0.84) MAPTLMNAKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL11816315 0.88 MAPT (0.84) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL9342011 0.87 MAOB (0.63) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL9342018 0.87 MAOB (0.63) MAPTLMNAKMT2AMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 EP disclosed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 US disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 EP disclosed