SCHEMBL6715534

SCHEMBL6715534

CCCCCCCCCCCc1noc(-c2ccc(C[NH])cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
NPC1 O15118 2/20 0.54
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SPHK1 Q9NYA1 4/20 0.51
SPHK2 Q9NRA0 5/20 0.50
S1PR1 P21453 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CHRM2 P08172 5/20 0.46
CHRM4 P08173 5/20 0.46
CHRM5 P08912 5/20 0.46
CHRM1 P11229 5/20 0.46

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
SCHEMBL6805181 1.00 MAPT (0.54) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6805184 0.86 ALDH1A1 (0.54) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1855354 0.86 ALDH1A1 (0.54) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1313099 0.86 ALDH1A1 (0.54) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12117878 0.86 NPC1 (0.54) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11338689 0.83 ALDH1A1 (0.56) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL27619399 0.83 ALDH1A1 (0.56) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6820556 0.83 ALDH1A1 (0.56) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL27601076 0.80 ALDH1A1 (0.52) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1858866 0.80 ALDH1A1 (0.56) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2

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-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed