SCHEMBL4948583

SCHEMBL4948583

CCc1ccccc1N(CC)C(=O)n1nc(C(=O)O)c2c1CNC2

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL4949129 0.70 CCNA2 (0.39)
SCHEMBL8751588 0.65 TSHR (0.52) LMNATSHRKDM4EGAAHPGD
SCHEMBL30707094 0.64 POLB (0.34) L3MBTL1MAPTPOLB
SCHEMBL27320089 0.62 TSHR (0.47) LMNATSHRKDM4EGAAHPGD
SCHEMBL11740247 0.61 TSHR (0.46) LMNATSHRKDM4EGAAHPGD
SCHEMBL6700583 0.60 TSHR (0.46) LMNATSHRKDM4EGAAHPGD
SCHEMBL11040263 0.60 TSHR (0.48) LMNATSHRKDM4EGAAHPGD
SCHEMBL8706315 0.60 TSHR (0.47) LMNATSHRKDM4EGAAHPGD
SCHEMBL7824240 0.58 LMNA (0.55) LMNATSHRKDM4EGAAHPGD
SCHEMBL4968161 0.58 GABRA1 (0.46) LMNATSHRKDM4EGAAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 EP disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed