SCHEMBL13680943

SCHEMBL13680943

O=CCCc1csc(-c2ccc(O)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 6/20 0.44
CYP19A1 P11511 1/20 0.43
KDM4E B2RXH2 4/20 0.43
POLB P06746 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 3/20 0.43
GFER P55789 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL13680926 0.85 LMNA (0.56) RAB9AMAPTLMNAKDM4EPOLB
SCHEMBL13680922 0.85 GFER (0.62) RAB9AMAPTLMNAKDM4EPOLB
SCHEMBL13680920 0.84 RAB9A (0.56) RAB9AMAPTLMNAKDM4EPOLB
SCHEMBL13680937 0.84 KDM4E (0.52) RAB9AMAPTLMNAKDM4EALDH1A1
SCHEMBL13680932 0.83 KMT2A (0.47) RAB9AMAPTLMNAKDM4EPOLB
SCHEMBL13680945 0.83 MEN1 (0.52) RAB9AMAPTLMNAKDM4EALDH1A1
SCHEMBL13681055 0.82 KDM4E (0.46) RAB9AMAPTLMNAKDM4EPOLB
SCHEMBL13681039 0.82 MAPT (0.43) RAB9AMAPTLMNAKDM4EPOLB
SCHEMBL13681044 0.82 MAPT (0.41) RAB9AMAPTLMNAKDM4EALDH1A1
SCHEMBL13680930 0.81 LMNA (0.55) MAPTLMNAKDM4EPOLBSMN1; SMN2

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