SCHEMBL4699188

SCHEMBL4699188

CCCCc1nc2cc(C(=O)O)ccc2n1-c1cccc(N2CCN(C(C)OCC)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
HPGD P15428 4/20 0.41
HSD17B10 Q99714 1/20 0.40
AGTR1 P30556 7/20 0.40
AGTR2 P50052 7/20 0.40
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL4700682 0.92 THRB (0.45) THRBHPGDHSD17B10AGTR1AGTR2
SCHEMBL4702409 0.91 THRB (0.44) THRBHPGDHSD17B10SMN1; SMN2POLB
SCHEMBL4698571 0.90 THRB (0.41) THRBHPGDHSD17B10SMN1; SMN2POLB
SCHEMBL4701536 0.90 THRB (0.43) THRBHPGDHSD17B10SMN1; SMN2SIRT2
SCHEMBL4698515 0.89 HPGD (0.44) THRBHPGDHSD17B10SMN1; SMN2POLB
SCHEMBL4699907 0.88 CRBN (0.44) THRBHPGDHSD17B10SIRT2SIRT1
SCHEMBL4698489 0.86 HPGD (0.43) THRBHPGDHSD17B10TP53SMN1; SMN2
SCHEMBL4702405 0.84 THRB (0.45) THRBHPGDHSD17B10SMN1; SMN2SIRT2
SCHEMBL4703393 0.84 THRB (0.46) THRBHPGDHSD17B10SMN1; SMN2POLB
SCHEMBL4698564 0.83 THRB (0.42) THRBHPGDHSD17B10SMN1; SMN2SIRT2

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