SCHEMBL13680953

SCHEMBL13680953

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
ATM Q13315 2/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PRMT1 Q99873 1/20 0.37
TP53 P04637 2/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL13680955 0.84 GAA (0.42) LMNAALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL13680952 0.83 CPT1A (0.41) LMNAMAPTSMN1; SMN2KDM4EPOLB
SCHEMBL13680954 0.82 KDM4E (0.40) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13680949 0.81 HPGDS (0.43) LMNAALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL13681331 0.81 CHEK1 (0.41) LMNAALDH1A1HPGDL3MBTL1MAPT
SCHEMBL13680959 0.81 CYP19A1 (0.53) LMNAALDH1A1HPGDL3MBTL1MAPT
SCHEMBL13680956 0.80 SHMT2 (0.40) LMNAALDH1A1HPGDL3MBTL1MAPT
SCHEMBL13681049 0.79 LMNA (0.38) LMNAALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL16603176 0.79 LMNA (0.46) LMNAALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL13681052 0.77 HPGDS (0.54) LMNAHPGDMAPTSMN1; SMN2KDM4E

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