SCHEMBL4593974

SCHEMBL4593974

CCOc1cc(CN(c2nc3c(C(=O)NCC(=O)O)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
APEX1 P27695 1/20 0.38
SSTR5 P35346 2/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 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
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SLC6A2 P23975 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
SCHEMBL4593431 0.94 LMNA (0.39) LMNAMAPTTP53RENTHRB
SCHEMBL4594116 0.90 MAPT (0.41) LMNAMAPTTP53RENTHRB
SCHEMBL4594440 0.90 HTR3A (0.37) LMNAMAPTSSTR5RAB9ASMN1; SMN2
SCHEMBL4594360 0.90 MAPT (0.41) LMNAMAPTTP53RENTHRB
SCHEMBL4593884 0.89 HTR3A (0.37) LMNAMAPTTP53SSTR5HRH1
SCHEMBL4594673 0.85 MAPK1 (0.42) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4593298 0.85 HTR3A (0.36) LMNAMAPTSSTR5RAB9ASMN1; SMN2
SCHEMBL4594275 0.84 HTR3A (0.36) LMNAMAPTSSTR5HRH1SMN1; SMN2
SCHEMBL5483266 0.81 MAPT (0.46) LMNAMAPTTP53APEX1NPC1
SCHEMBL4594721 0.81 SSTR5 (0.39) LMNAMAPTTP53RENTHRB

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