SCHEMBL13680920

SCHEMBL13680920

O=CCCc1csc(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
LMNA P02545 3/20 0.56
KDM4E B2RXH2 1/20 0.51
HPGD P15428 2/20 0.50
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ATM Q13315 1/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
PRNP P04156 1/20 0.47

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
SCHEMBL7371492 0.88 RAB9A (0.51) RAB9ALMNAKDM4EHPGDDRD2
SCHEMBL13681052 0.87 HPGDS (0.54) RAB9ALMNAKDM4EHPGDHSD17B10
SCHEMBL13680926 0.84 LMNA (0.56) RAB9ALMNAKDM4EMAPTSMN1; SMN2
SCHEMBL13680922 0.84 GFER (0.62) RAB9ALMNAKDM4EHSD17B10MAPT
SCHEMBL13680943 0.84 RAB9A (0.48) RAB9ALMNAKDM4EHPGDHSD17B10
SCHEMBL13680937 0.84 KDM4E (0.52) RAB9ALMNAKDM4EHPGDMAPT
SCHEMBL7039927 0.84 KDM4E (0.60) RAB9ALMNAKDM4EHPGDMAPT
SCHEMBL30785478 0.83 KDM4E (0.54) RAB9ALMNAKDM4EHPGDDRD2
SCHEMBL10031024 0.81 LMNA (0.59) RAB9ALMNAKDM4EHPGDDRD2
SCHEMBL13680930 0.81 LMNA (0.55) LMNAKDM4EMAPTSMN1; SMN2POLB

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