SCHEMBL13680956

SCHEMBL13680956

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.40
CYP19A1 P11511 3/20 0.38
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
LMNA P02545 5/20 0.35
PIM1 P11309 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 4/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL13680959 0.84 CYP19A1 (0.53) CYP19A1PPARDPPARALMNAMAPT
SCHEMBL13680931 0.83 SHMT2 (0.56) SHMT2PIM1MAPTKDM4ESMN1; SMN2
SCHEMBL13680952 0.82 CPT1A (0.41) LMNAMAPTKDM4ESMN1; SMN2TP53
SCHEMBL13680950 0.81 PPARD (0.40) CYP19A1PPARDPPARALMNAMAPT
SCHEMBL13680953 0.80 LMNA (0.41) LMNAMAPTKDM4ESMN1; SMN2TP53
SCHEMBL13680845 0.79 SCN9A (0.41) ALDH1A1L3MBTL1POLB
SCHEMBL13680955 0.78 GAA (0.42) LMNAMAPTKDM4ESMN1; SMN2TP53
SCHEMBL13680930 0.76 LMNA (0.55) LMNAPIM1MAPTKDM4ESMN1; SMN2
SCHEMBL13680954 0.76 KDM4E (0.40) LMNAPIM1MAPTKDM4ESMN1; SMN2
SCHEMBL13680493 0.75 CYP2A6 (0.47) SHMT2CYP19A1PPARA

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