SCHEMBL3402472

SCHEMBL3402472

CSc1cccc(-c2nc(C)c(C(=O)NCCN3CCCC3)s2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
CHRM4 P08173 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PARP1 P09874 1/20 0.42
PPARA Q07869 3/20 0.42
PPARD Q03181 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SMYD2 Q9NRG4 1/20 0.41
MAP4K4 O95819 1/20 0.40

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
SCHEMBL3405410 0.99 HPGD (0.47) HPGDNPC1CHRM4SMN1; SMN2ALDH1A1
SCHEMBL3400521 0.94 GAA (0.45) HPGDNPC1CHRM4SMN1; SMN2ALDH1A1
SCHEMBL13309646 0.91 HPGD (0.47) HPGDNPC1CHRM4SMN1; SMN2ALDH1A1
SCHEMBL3400541 0.85 HPGD (0.48) HPGDNPC1CHRM4SMN1; SMN2ALDH1A1
SCHEMBL3405815 0.85 MAPT (0.52) HPGDNPC1MAPTSMYD2
SCHEMBL3402209 0.84 ACKR3 (0.52) HPGDNPC1CHRM4SMN1; SMN2ALDH1A1
SCHEMBL3404196 0.84 ALDH1A1 (0.60) HPGDNPC1CHRM4SMN1; SMN2ALDH1A1
SCHEMBL3402848 0.83 LMNA (0.52) NPC1MAPT
SCHEMBL3399919 0.83 HPGD (0.46) HPGDNPC1CHRM4SMN1; SMN2ALDH1A1
SCHEMBL3429158 0.83 GLA (0.51) HPGDNPC1CHRM4SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed