SCHEMBL4698564

SCHEMBL4698564

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
HSD17B10 Q99714 2/20 0.40
HPGD P15428 5/20 0.39
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER4 P35408 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
OPRM1 P35372 1/20 0.33

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
SCHEMBL4703865 0.91 THRB (0.46) THRBHSD17B10HPGDSIRT2SIRT1
SCHEMBL4702405 0.89 THRB (0.45) THRBHSD17B10HPGDSIRT2SIRT1
SCHEMBL4698571 0.85 THRB (0.41) THRBHSD17B10HPGDSIRT2SIRT1
SCHEMBL4701536 0.85 THRB (0.43) THRBHSD17B10HPGDSIRT2SIRT1
SCHEMBL4699188 0.83 THRB (0.42) THRBHSD17B10HPGDSIRT2SIRT1
SCHEMBL4699907 0.83 CRBN (0.44) THRBHSD17B10HPGDSIRT2SIRT1
SCHEMBL4702409 0.83 THRB (0.44) THRBHSD17B10HPGDSMN1; SMN2PTGER4
SCHEMBL4698515 0.82 HPGD (0.44) THRBHSD17B10HPGDSIRT2SIRT1
SCHEMBL4698489 0.81 HPGD (0.43) THRBHSD17B10HPGDSIRT2SIRT1
SCHEMBL2652331 0.81 FGFR1 (0.54) THRBHPGDSMN1; SMN2MEN1KMT2A

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