SCHEMBL13680990

SCHEMBL13680990

O=CCCc1csc(-c2ccn3ccnc3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.40
LMNA P02545 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ACKR3 P25106 4/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 2/20 0.32
SREBF2 Q12772 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL13681059 0.83 DYRK1A (0.45) LMNASMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL13680906 0.74 PIK3C3 (0.37) PIK3C3L3MBTL1RXFP1ALDH1A1
SCHEMBL13680619 0.74 CYP3A4 (0.44) PIK3C3ACKR3KDM4EALDH1A1HPGD
SCHEMBL13680920 0.72 RAB9A (0.56) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL3603152 0.70 KDM4E (0.59) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL13680926 0.70 LMNA (0.56) LMNASMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL13680943 0.70 RAB9A (0.48) LMNASMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL13680922 0.70 GFER (0.62) LMNASMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL7039927 0.69 KDM4E (0.60) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL13680996 0.69 QPCT (0.44)

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