SCHEMBL4702409

SCHEMBL4702409

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
HPGD P15428 6/20 0.41
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.39
PTGER4 P35408 2/20 0.37
HCAR3 P49019 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 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
SCHEMBL4703169 0.93 THRB (0.46) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL4699188 0.91 THRB (0.42) THRBHPGDHSD17B10SMN1; SMN2POLB
SCHEMBL4698571 0.89 THRB (0.41) THRBHPGDHSD17B10PTGER4SMN1; SMN2
SCHEMBL4701536 0.89 THRB (0.43) THRBHPGDHSD17B10PTGER4SMN1; SMN2
SCHEMBL4698515 0.88 HPGD (0.44) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL4699907 0.88 CRBN (0.44) THRBHPGDHSD17B10PTGER4
SCHEMBL5781185 0.86 THRB (0.48) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL5777980 0.86 THRB (0.49) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL4698489 0.85 HPGD (0.43) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL4702405 0.85 THRB (0.45) THRBHPGDHSD17B10KMT2APTGER4

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