SCHEMBL371323

SCHEMBL371323

Cc1nc2ccc(OCc3nn(-c4cnn(C)c4)ccc3=O)cc2cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSP90AA1 P07900 1/20 0.45
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
ALKBH1 Q13686 1/20 0.36
MAOB P27338 1/20 0.36
EP300 Q09472 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
MAPT P10636 1/20 0.34
MET P08581 3/20 0.34
HSD17B10 Q99714 2/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 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
SCHEMBL14916951 0.86 MET (0.41) PDE10AALKBH1MAOBMET
SCHEMBL14916275 0.85 MET (0.41) PDE10AALKBH1MET
SCHEMBL359139 0.84 MET (0.36) PDE10AMAOBMET
SCHEMBL360598 0.84 PDE10A (0.38) PDE10AMET
SCHEMBL361506 0.84 PDE10A (0.42) PDE10AMAOBPPARGMETPDE3B
SCHEMBL255618 0.84 PDE10A (0.38) PDE10AMET
Hydrochloric Acid SCHEMBL174468 0.84 PDE10A (0.37) PDE10AMET
SCHEMBL359817 0.83 MET (0.40) PDE10AALDH1A1HPGDMET
SCHEMBL178094 0.83 MET (0.44) MET
SCHEMBL367903 0.82 MET (0.40) PDE10AMETPDE3BPDE3A

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-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed