SCHEMBL4703384

SCHEMBL4703384

COC(C)c1nc2cc(C(=O)O)ccc2n1-c1cccc(C2CCN(C(C)OC)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
NOTUM Q6P988 1/20 0.38
HPGD P15428 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
MCHR1 Q99705 1/20 0.37
HTT P42858 1/20 0.37
PTGER4 P35408 1/20 0.36
MGLL Q99685 1/20 0.35
HCAR3 P49019 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
KMO O15229 1/20 0.35

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
SCHEMBL5782343 0.91 THRB (0.48) THRBHSD17B10SMN1; SMN2NOTUMHPGD
SCHEMBL5778383 0.90 THRB (0.46) THRBHSD17B10SMN1; SMN2NOTUMHPGD
SCHEMBL4703167 0.86 THRB (0.48) THRBHSD17B10SMN1; SMN2HPGDL3MBTL1
SCHEMBL4703387 0.85 THRB (0.44) THRBHSD17B10HPGDTP53MCHR1
SCHEMBL4703128 0.81 FGFR1 (0.54) THRBSMN1; SMN2HPGDTP53
SCHEMBL4702405 0.79 THRB (0.45) THRBHSD17B10SMN1; SMN2HPGDHTT
SCHEMBL4703388 0.79 THRB (0.48) THRBHSD17B10SMN1; SMN2HPGDL3MBTL1
SCHEMBL5777977 0.79 THRB (0.50) THRBHSD17B10SMN1; SMN2HPGDHTT
SCHEMBL5782594 0.78 THRB (0.49) THRBHSD17B10SMN1; SMN2HPGDTP53
SCHEMBL5781884 0.78 THRB (0.48) THRBHSD17B10SMN1; SMN2HPGDHTT

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