SCHEMBL13384263

SCHEMBL13384263

CC(C)Cc1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
POLB P06746 1/20 0.38
ELANE P08246 1/20 0.36
ACHE P22303 1/20 0.36
MTOR P42345 1/20 0.35
ADK P55263 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 1/20 0.35
SGK1 O00141 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
DCUN1D1 Q96GG9 2/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
CXCR2 P25025 1/20 0.34
KDM4E B2RXH2 4/20 0.34
KMT2A Q03164 3/20 0.34

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
SCHEMBL857530 0.83 ALDH1A1 (0.39) ADORA3ADORA2BALDH1A1NR1H2NR1H3
SCHEMBL13643059 0.83 NR4A2 (0.47) ADORA3ADORA2APOLBKDM4EL3MBTL1
SCHEMBL2780530 0.82 POLB (0.41) ADORA3ADORA2APOLBMTORADK
SCHEMBL17622 0.79 CXCR2 (0.42) POLBMTORADKNISCHALDH1A1
SCHEMBL672597 0.78 NOTUM (0.42) POLBMTORADKNISCHALDH1A1
Hydrochloric Acid SCHEMBL8588873 0.77 CXCR2 (0.41) POLBMTORADKNISCHALDH1A1
SCHEMBL535052 0.77 PDE5A (0.44) ADORA3ADORA2AADORA1POLBALDH1A1
SCHEMBL6596072 0.77 KMT2A (0.40) POLBMTORADKNISCHALDH1A1
SCHEMBL30670275 0.77 MTOR (0.38) ADORA3ADORA2APOLBMTORADK
SCHEMBL2092717 0.77 MTOR (0.38) POLBMTORADKNISCHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102236259-A Radiation sensitivity resin composition for display element, interlayer insulation film, protective film and spacer and forming method thereof JSR CORP 2011-11-09 CN disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed