SCHEMBL8053102

SCHEMBL8053102

O=C1c2ccccc2C(=O)N1CCc1ncc2sccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
PKM P14618 1/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CASP3 P42574 1/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
GLS O94925 1/20 0.39
GAA P10253 1/20 0.39
PDE10A Q9Y233 2/20 0.38

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
SCHEMBL8041339 0.86 ALDH1A1 (0.43) PKMPOLBMAPTMEN1KMT2A
SCHEMBL30548266 0.77 HSD17B10 (0.49) HSD17B10PKMPOLBMAPTMEN1
SCHEMBL25251939 0.77 HSD17B10 (0.49) HSD17B10PKMPOLBMAPTMEN1
SCHEMBL7497270 0.70 DYRK1A (0.33) HSD17B10ALDH1A1HPGD
SCHEMBL8052726 0.67 KDM4E (0.30) HSD17B10SMN1; SMN2HPGD
SCHEMBL2398501 0.66 GLA (0.52) HSD17B10PKMPOLBMAPTMEN1
Hydrochloric Acid SCHEMBL7888843 0.66 HIF1A (0.32) HSD17B10MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL11657430 0.66 HPGD (0.56) HSD17B10MAPTSMN1; SMN2ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7890565 0.66 DYRK1A (0.38) HSD17B10ALDH1A1HPGD
SCHEMBL6699936 0.65 GLS (0.71) MAPTSMN1; SMN2CASP3L3MBTL1GLS

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-0669336-B1 NOVEL CEPHEM DERIVATIVES MEIJI SEIKA CO (JP) 2000-05-17 EP disclosed
US-5663162-A BACTERICIDES AND ANTIBIOTICS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-09-02 US disclosed
EP-0669336-A1 NOVEL CEPHEM DERIVATIVE MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-08-30 EP disclosed