SCHEMBL13680730

SCHEMBL13680730

CC(=O)c1ccc(-c2nc(C)cs2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 2/20 0.45
CYP2A6 P11509 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
S100A4 P26447 1/20 0.40
PLAU P00749 1/20 0.40
NPC1 O15118 2/20 0.39

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
SCHEMBL890218 0.77 NPC1 (0.50) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL1356959 0.74 LMNA (0.70) LMNAMAPTKDM4EALDH1A1GLA
SCHEMBL1575023 0.73 LMNA (0.59) LMNAMAPTKDM4EALDH1A1GLA
SCHEMBL299865 0.73 KDM4E (0.45) LMNAMAPTKDM4EALDH1A1GLA
SCHEMBL12569052 0.72 LMNA (0.68) LMNAMAPTKDM4EALDH1A1GLA
SCHEMBL8575623 0.72 LMNA (0.68) LMNAMAPTKDM4EALDH1A1GLA
SCHEMBL13680664 0.72 KDM4E (0.50) LMNAMAPTKDM4EALDH1A1GLA
SCHEMBL299141 0.72 RAB9A (0.52) LMNAMAPTKDM4EALDH1A1GLA
SCHEMBL13680487 0.70 ALDH1A1 (0.49) MAPTKDM4EALDH1A1GAACYP3A4
SCHEMBL10147188 0.70 PDE10A (0.40) MAPTKDM4EALDH1A1GLACYP3A4

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