SCHEMBL9813248

SCHEMBL9813248

O=C1c2ccccc2C(=O)N1OCc1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.35
PKM P14618 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
SCHEMBL20987960 0.82 ALDH1A1 (0.63) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL13140638 0.78 NPC1 (0.61) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL9813319 0.77 NPC1 (0.41) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL2481128 0.76 MEN1 (0.47) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL1556923 0.75 MAPT (0.52) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL27815401 0.75 NPC1 (0.51) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9813253 0.73 ALDH1A1 (0.40) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL2786872 0.73 GAA (0.53) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL10464685 0.73 PDE5A (0.41) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL6584892 0.73 SMN1; SMN2 (0.45) MEN1KMT2APOLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153709-B1 NOVEL CEPHALOSPORIN DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 1991-08-14 EP disclosed
US-4785090-A ANTIBIOTICS, BACTERICIDES MEIJI SEIKA KAISHA, LTD. (JP) 1988-11-15 US disclosed
US-4608373-A BACTERICIDES, ANTIBIOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-08-26 US disclosed
EP-0153709-A2 Novel cephalosporin derivatives MEIJI SEIKA KAISHA LTD. (JP) 1985-09-04 EP disclosed
EP-0112164-A2 Cephem compounds, and their production, and medicaments containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1984-06-27 EP disclosed