SCHEMBL8052946

SCHEMBL8052946

O=C1c2ccccc2C(=O)N1Cc1csc2cncn12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
CASP3 P42574 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.36
CYP1B1 Q16678 1/20 0.36
RECQL P46063 1/20 0.36
GRM5 P41594 1/20 0.35

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
SCHEMBL7503059 0.73 IDO1 (0.43) MEN1KMT2APKMALDH1A1CYP1A2
SCHEMBL7498851 0.73 IDO1 (0.41) MEN1KMT2APKMALDH1A1CASP3
SCHEMBL9252099 0.70 GRM5 (0.47) MEN1KMT2APKMALDH1A1POLB
SCHEMBL7503789 0.69 MAPK1 (0.43) MEN1KMT2APKMALDH1A1CASP3
SCHEMBL6893584 0.69 TBXAS1 (0.32)
SCHEMBL7550261 0.68 IDO1 (0.31)
SCHEMBL8041339 0.67 ALDH1A1 (0.43) MEN1KMT2APKMALDH1A1POLB
Hydrochloric Acid SCHEMBL7883224 0.67 IDO1 (0.35)
SCHEMBL7498371 0.66
SCHEMBL8053462 0.65 PKM (0.41) MEN1KMT2APKMALDH1A1POLB

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