SCHEMBL4593431

SCHEMBL4593431

CCOc1cc(CN(c2nc3c(C(=O)NCC(=O)OC)cccc3o2)C2CCNCC2)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
REN P00797 3/20 0.38
THRB P10828 1/20 0.38
SSTR5 P35346 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
APEX1 P27695 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR3A P46098 1/20 0.36
POLB P06746 1/20 0.35
ROCK2 O75116 1/20 0.35
OPRM1 P35372 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PARP1 P09874 1/20 0.35
PDE4D Q08499 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
SCHEMBL4593974 0.94 LMNA (0.39) LMNAMAPTTP53RENTHRB
SCHEMBL4593298 0.91 HTR3A (0.36) LMNAMAPTSSTR5RAB9ASMN1; SMN2
SCHEMBL4594360 0.90 MAPT (0.41) LMNAMAPTTP53RENTHRB
SCHEMBL4594275 0.89 HTR3A (0.36) LMNAMAPTSSTR5HRH1SMN1; SMN2
SCHEMBL4594116 0.89 MAPT (0.41) LMNAMAPTTP53RENTHRB
SCHEMBL4594673 0.85 MAPK1 (0.42) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4594440 0.84 HTR3A (0.37) LMNAMAPTSSTR5RAB9ASMN1; SMN2
SCHEMBL4593884 0.83 HTR3A (0.37) LMNAMAPTTP53SSTR5HRH1
SCHEMBL4594721 0.81 SSTR5 (0.39) LMNAMAPTTP53RENTHRB
SCHEMBL5478920 0.80 LMNA (0.40) LMNAMAPTTP53RENSSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed