SCHEMBL13680925

SCHEMBL13680925

O=CCCc1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIN1 Q13526 3/20 0.35
CYP1A2 P05177 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
MAPT P10636 1/20 0.33
PDE5A O76074 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MTOR P42345 1/20 0.33
ADK P55263 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
GRK6 P43250 1/20 0.33
RNASEH1 O60930 1/20 0.33
ERCC1 P07992 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
SCHEMBL13680928 0.84 TYMP (0.36) POLBKMT2AMAPK1CXCR2TNKS
SCHEMBL30670275 0.81 MTOR (0.38) POLBKMT2AL3MBTL1PIN1CYP1A2
SCHEMBL4880314 0.79 FFAR1 (0.47) POLBL3MBTL1CYP1A2MAPK1CYP2C19
SCHEMBL27641126 0.78 ALPL (0.41) POLBKMT2AL3MBTL1PIN1CYP1A2
SCHEMBL1436268 0.78 LOXL2 (0.40) POLBKMT2AL3MBTL1PIN1CYP1A2
SCHEMBL27871635 0.78 KCNH2 (0.50) L3MBTL1PIN1CYP1A2CYP2C19ADORA3
SCHEMBL535052 0.78 PDE5A (0.44) POLBPIN1ADORA3ADORA2AMAPT
SCHEMBL2093913 0.78 MTOR (0.36) POLBKMT2AL3MBTL1PIN1CYP1A2
SCHEMBL4878258 0.76 ADORA3 (0.38) POLBKMT2AL3MBTL1PIN1CYP1A2
SCHEMBL4882878 0.76 NR4A2 (0.47) PIN1CYP1A2MAPK1CASP1CYP2C19

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed