SCHEMBL4701502

SCHEMBL4701502

COC(C)N1CCN(c2cccc(-n3c(Cc4ccccc4)nc4cc(C(=O)O)ccc43)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.46
THRB P10828 1/20 0.46
BRD4 O60885 2/20 0.45
CREBBP Q92793 2/20 0.45
HSD17B10 Q99714 1/20 0.44
IDH1 O75874 5/20 0.43
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
HPGD P15428 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL4699907 0.92 CRBN (0.44) CRBNTHRBBRD4CREBBPHSD17B10
SCHEMBL4702086 0.90 THRB (0.47) THRBHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4703393 0.89 THRB (0.46) THRBHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4703176 0.88 THRB (0.44) CRBNTHRBHSD17B10HPGDALDH1A1
SCHEMBL4703169 0.88 THRB (0.46) THRBHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4700682 0.87 THRB (0.45) THRBHSD17B10HPGDSMN1; SMN2
SCHEMBL4703871 0.86 THRB (0.44) THRBHSD17B10HPGDSMN1; SMN2
SCHEMBL4700632 0.85 THRB (0.43) THRBHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4703388 0.84 THRB (0.48) THRBHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4703167 0.84 THRB (0.48) THRBHSD17B10HPGDALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP claimed