SCHEMBL13680632

SCHEMBL13680632

Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 9/20 0.47
SCN5A Q14524 5/20 0.47
KCNH2 Q12809 4/20 0.47
SCN1A P35498 1/20 0.47
SCN9A Q15858 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
CTSA P10619 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL19992641 0.82 KCNH2 (0.51) SCN10AKCNH2CTSA
SCHEMBL3057476 0.78 NPC1 (0.43) CTSAHDAC4
SCHEMBL30480914 0.77 MLYCD (0.42) SCN10ASCN5AKCNH2SCN1ASCN9A
SCHEMBL15104623 0.77 HDAC3 (0.47) SCN10ASCN5AKCNH2SCN1ASCN9A
SCHEMBL15104697 0.77 HDAC3 (0.44) SCN10ASCN5AKCNH2SCN1ASCN9A
SCHEMBL2092367 0.77 HSD17B10 (0.55)
SCHEMBL15104954 0.77 CDC7 (0.68) SCN10AKCNH2HDAC3HDAC4HDAC1
SCHEMBL2090445 0.75 APP (0.44) CTSAHDAC3HDAC4HDAC1HDAC7
SCHEMBL14555283 0.75 HDAC4 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL890214 0.75 SMN1; SMN2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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