SCHEMBL13680949

SCHEMBL13680949

O=CCCc1csc(-c2ccc(C(=O)O)nc2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
PRMT1 Q99873 3/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL13680937 0.82 KDM4E (0.52) LMNAALDH1A1TP53MAPTKDM4E
SCHEMBL13680953 0.81 LMNA (0.41) PRMT1LMNAALDH1A1TP53MAPT
SCHEMBL13680955 0.81 GAA (0.42) PRMT1LMNAALDH1A1TP53MAPT
SCHEMBL13680950 0.79 PPARD (0.40) LMNAALDH1A1TP53MAPTKDM4E
SCHEMBL13680954 0.79 KDM4E (0.40) PRMT1LMNAALDH1A1TP53MAPT
SCHEMBL13680959 0.78 CYP19A1 (0.53) LMNAALDH1A1TP53MAPTKDM4E
SCHEMBL13681331 0.78 CHEK1 (0.41) LMNAALDH1A1TP53MAPTKDM4E
SCHEMBL13680952 0.78 CPT1A (0.41) LMNATP53MAPTKDM4ESMN1; SMN2
SCHEMBL13680943 0.77 RAB9A (0.48) LMNAALDH1A1TP53MAPTKDM4E
SCHEMBL13681052 0.77 HPGDS (0.54) HPGDSLMNATP53MAPTKDM4E

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