SCHEMBL13680952

SCHEMBL13680952

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.41
LMNA P02545 6/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 7/20 0.38
RHOC P08134 1/20 0.37
RHOA P61586 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
SCHEMBL13680953 0.83 LMNA (0.41) LMNAKDM4ESMN1; SMN2POLBMAPT
SCHEMBL13680956 0.82 SHMT2 (0.40) LMNAKDM4ESMN1; SMN2POLBMAPT
SCHEMBL13680930 0.82 LMNA (0.55) LMNAKDM4ESMN1; SMN2POLBHTT
SCHEMBL13680955 0.81 GAA (0.42) CPT1ALMNAKDM4ESMN1; SMN2POLB
SCHEMBL13680954 0.79 KDM4E (0.40) LMNAKDM4ESMN1; SMN2POLBMAPT
SCHEMBL18002719 0.78 MAPT (0.50) CPT1AMAPT
SCHEMBL13680959 0.78 CYP19A1 (0.53) CPT1ALMNAKDM4ESMN1; SMN2MAPT
SCHEMBL13681331 0.78 CHEK1 (0.41) LMNAKDM4ESMN1; SMN2POLBMAPT
SCHEMBL13680949 0.78 HPGDS (0.43) LMNAKDM4ESMN1; SMN2MAPTTP53
SCHEMBL13680850 0.77 TRPV3 (0.53)

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