SCHEMBL5048957

SCHEMBL5048957

CCCCCCCCc1noc(-c2ccc(C([NH])Cc3csc4ccccc34)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SPHK1 Q9NYA1 3/20 0.38
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 6/20 0.35
CHRM4 P08173 6/20 0.35
CHRM5 P08912 6/20 0.35
CHRM1 P11229 6/20 0.35
CHRM3 P20309 6/20 0.35
SPHK2 Q9NRA0 2/20 0.34
S1PR1 P21453 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL5048827 1.00 NPC1 (0.42) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL5039878 0.90 ALDH1A1 (0.38) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL1856350 0.82 SPHK1 (0.40) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6919248 0.81 SMN1; SMN2 (0.44) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL1855830 0.80 SPHK1 (0.47) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL1854615 0.80 SPHK1 (0.47) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL5047684 0.80 ALDH1A1 (0.45) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL1853286 0.79 SMN1; SMN2 (0.42) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL1853288 0.79 ALDH1A1 (0.44) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL1855161 0.78 CHRM2 (0.38) NPC1ALDH1A1MAPTRAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP 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