SCHEMBL13680922

SCHEMBL13680922

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.62
MAPT P10636 8/20 0.51
TP53 P04637 8/20 0.51
LMNA P02545 7/20 0.51
POLB P06746 1/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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) MAPTTP53LMNAPOLBRAB9A
SCHEMBL13680943 0.85 RAB9A (0.48) GFERMAPTTP53LMNAPOLB
SCHEMBL13680920 0.84 RAB9A (0.56) MAPTLMNAPOLBRAB9ANPC1
SCHEMBL13680937 0.81 KDM4E (0.52) MAPTTP53LMNARAB9AMEN1
SCHEMBL13680929 0.81 ALDH1A1 (0.62) MAPTTP53LMNARAB9AALDH1A1
SCHEMBL13680930 0.81 LMNA (0.55) MAPTTP53LMNAPOLBKDM4E
SCHEMBL13681346 0.81 CDC25A (0.45) GFERMAPTTP53LMNAPOLB
SCHEMBL4284871 0.81 GFER (0.75) GFERMAPTTP53LMNAPOLB
SCHEMBL13680945 0.80 MEN1 (0.52) MAPTTP53LMNARAB9AMEN1
SCHEMBL13680932 0.80 KMT2A (0.47) MAPTTP53LMNAPOLBRAB9A

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