SCHEMBL8041339

SCHEMBL8041339

O=C1c2ccccc2C(=O)N1Cc1ncc2sccn12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.41
TSHR P16473 2/20 0.39
CASP3 P42574 1/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8053102 0.86 HSD17B10 (0.46) ALDH1A1MEN1KMT2APKMTSHR
SCHEMBL8053462 0.73 PKM (0.41) ALDH1A1MEN1KMT2APKMRAB9A
Hydrochloric Acid SCHEMBL7888843 0.68 HIF1A (0.32) ALDH1A1RAB9AKDM4EHPGDMAPT
Hydrochloric Acid SCHEMBL7890565 0.67 DYRK1A (0.38) ALDH1A1KDM4EHPGDRECQL
SCHEMBL22310247 0.67 MEN1 (0.50) ALDH1A1MEN1KMT2APKMRAB9A
SCHEMBL8052946 0.67 MEN1 (0.40) ALDH1A1MEN1KMT2APKMTSHR
SCHEMBL6892767 0.67 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APKMRAB9A
SCHEMBL7497270 0.66 DYRK1A (0.33) ALDH1A1KDM4EHPGDRECQL
SCHEMBL1636409 0.66 MEN1 (0.53) ALDH1A1MEN1KMT2APKMTSHR
SCHEMBL7491719 0.65 ADH1B (0.30)

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