SCHEMBL9813253

SCHEMBL9813253

O=C1NC(=O)c2c(OCc3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 5/20 0.36
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
HTT P42858 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KCNA5 P22460 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 6/20 0.34
POLB P06746 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL9813248 0.73 MEN1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9813319 0.72 NPC1 (0.41) ALDH1A1KDM4EMAPK1NPC1RAB9A
SCHEMBL9813250 0.71 MAPT (0.39) ALDH1A1KDM4EMAPK1NPC1RAB9A
SCHEMBL8599835 0.70 MAOA (0.54) ALDH1A1KDM4EMAPK1HTTMEN1
SCHEMBL8530083 0.69 CYSLTR1 (0.49)
SCHEMBL27815401 0.69 NPC1 (0.51) ALDH1A1KDM4EMAPK1NPC1RAB9A
SCHEMBL2786872 0.68 GAA (0.53) ALDH1A1KDM4ENPC1RAB9APDE5A
SCHEMBL10464685 0.68 PDE5A (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6584892 0.68 SMN1; SMN2 (0.45) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL22930413 0.67 KDM4E (0.34) ALDH1A1KDM4EKCNA5GAACASP3

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