SCHEMBL13680930

SCHEMBL13680930

O=CCCc1csc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.55
MAPT P10636 4/20 0.55
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 13/20 0.54
POLB P06746 2/20 0.53
HTT P42858 2/20 0.49
PIM1 P11309 1/20 0.47

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
SCHEMBL13680931 0.83 SHMT2 (0.56) MAPTKDM4ESMN1; SMN2TP53PIM1
SCHEMBL27720173 0.82 LMNA (0.56) LMNAMAPTKDM4ESMN1; SMN2TP53
SCHEMBL13680952 0.82 CPT1A (0.41) LMNAMAPTKDM4ESMN1; SMN2TP53
SCHEMBL4905756 0.81 LMNA (0.55) LMNAMAPTKDM4ESMN1; SMN2TP53
SCHEMBL13680926 0.81 LMNA (0.56) LMNAMAPTKDM4ESMN1; SMN2TP53
SCHEMBL27912402 0.81 LMNA (0.55) LMNAMAPTKDM4ESMN1; SMN2TP53
SCHEMBL3370362 0.81 LMNA (0.58) LMNAMAPTKDM4ESMN1; SMN2TP53
SCHEMBL13680943 0.81 RAB9A (0.48) LMNAMAPTKDM4ESMN1; SMN2TP53
SCHEMBL13680922 0.81 GFER (0.62) LMNAMAPTKDM4ESMN1; SMN2TP53
SCHEMBL6343767 0.81 LMNA (0.55) LMNAMAPTKDM4ESMN1; SMN2TP53

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