SCHEMBL28039717

SCHEMBL28039717

FC(F)c1cncc(SCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
DAO P14920 2/20 0.39
SCN9A Q15858 1/20 0.39
SLC6A4 P31645 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
HIF1AN Q9NWT6 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
PLA2G7 Q13093 3/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL1826745 0.79 MAOB (0.42) MAOAMAOBDAOSCN9ASLC6A4
SCHEMBL18600822 0.79 SLC6A4 (0.49) MAOAMAOBDAOSCN9ASLC6A4
SCHEMBL14125786 0.79 SMN1; SMN2 (0.43) MAOAMAOBDAOSCN9ASLC6A4
SCHEMBL21261286 0.76 MAOA (0.53) MAOAMAOBDAOSLC6A4HSD17B10
SCHEMBL24883472 0.76 SCN9A (0.48) MAOAMAOBDAOSCN9ASLC6A4
SCHEMBL1828030 0.76 MAOA (0.42) MAOAMAOBDAOSCN9AHSD17B10
SCHEMBL28202737 0.76 SMN1; SMN2 (0.49) MAOAMAOBDAOSCN9ASLC6A4
SCHEMBL1830465 0.76 SCN9A (0.48) MAOAMAOBDAOSCN9ASLC6A4
SCHEMBL11973719 0.75 CYP11B1 (0.44) MAOAMAOBDAOSCN9AHSD17B10
SCHEMBL24883423 0.74 DAO (0.44) MAOAMAOBDAOSCN9AHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008367-A Pyrrolotriazines as potassium ion channel inhibitors BRISTOL MYERS SQUIBB CO 2015-10-28 CN disclosed