SCHEMBL13564459

SCHEMBL13564459

Cc1nc2ccc(N(C)C(C)C)cc2c(=O)n1C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ IDO2 Q6ZQW0 1/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ MET P08581 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ DHFR P00374 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL12788525 0.92 KDM4E (0.41) IDO1TDO2IDO2KDM4EALDH1A1
SCHEMBL12788512 0.92 KDM4E (0.41) IDO1TDO2IDO2KDM4EALDH1A1
SCHEMBL12788332 0.89 PDE3B (0.46) IDO1TDO2IDO2KDM4EALDH1A1
SCHEMBL12788612 0.88 DHFR (0.36) IDO1TDO2IDO2KDM4EALDH1A1
SCHEMBL12788917 0.88 KDM4E (0.34) IDO1TDO2IDO2KDM4EALDH1A1
SCHEMBL12847202 0.87 ALDH1A1 (0.37) IDO1TDO2IDO2KDM4EALDH1A1
SCHEMBL12788546 0.87 ALDH1A1 (0.37) IDO1TDO2IDO2KDM4EALDH1A1
SCHEMBL12788906 0.85 NTSR1 (0.40) KDM4EALDH1A1MAPK1RAB9AMEN1
SCHEMBL12788643 0.85 ALDH1A1 (0.37) IDO1TDO2IDO2KDM4EALDH1A1
SCHEMBL12846932 0.85 DHFR (0.39) IDO1TDO2IDO2KDM4EALDH1A1

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-2297117-B1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME (US) 2012-10-31 — — EP disclosed
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