SCHEMBL5813161

SCHEMBL5813161

CCSCCOC(=O)c1ccc2c(c1)ncn2-c1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 17/20 0.52
FGFR1 P11362 2/20 0.47
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL2654761 0.91 HPGD (0.53) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL7242552 0.90 HPGD (0.56) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2651498 0.89 HPGD (0.56) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2649744 0.88 HPGD (0.60) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2651819 0.87 HPGD (0.55) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2647587 0.83 FGFR1 (0.68) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL6752588 0.82 HPGD (0.54) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL7241895 0.82 HPGD (0.56) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2944419 0.81 HPGD (0.58) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2653578 0.81 FGFR1 (0.48) HPGDFGFR1ALDH1A1NPC1GLA

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
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed