SCHEMBL8897910

SCHEMBL8897910

CCCCCNC1=CNc2ccccc2C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ASAH1 Q13510 1/20 0.35
S1PR2 O95136 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ELANE P08246 2/20 0.35
UTS2R Q9UKP6 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
BCHE P06276 1/20 0.33
TRPC3 Q13507 1/20 0.33
TRPC4 Q9UBN4 1/20 0.33
TRPC5 Q9UL62 1/20 0.33
SOAT1 P35610 2/20 0.33

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
SCHEMBL4788944 0.74 KCNH3 (0.38) KCNH3MAPTGAASIGMAR1S1PR2
SCHEMBL11666346 0.66 GAA (0.33) KCNH3MAPTGAASIGMAR1KDM4E
SCHEMBL7328852 0.65 MAPT (0.50) MAPTGAALMNASMN1; SMN2RAB9A
SCHEMBL4792080 0.65 MAPT (0.41) MAPTGAALMNASMN1; SMN2ALDH1A1
SCHEMBL30890804 0.65 MAPT (0.41) MAPTGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL1724131 0.65 L3MBTL1 (0.51) KCNH3MAPTGAASIGMAR1S1PR2
SCHEMBL8535750 0.63 L3MBTL1 (0.54) KCNH3MAPTSIGMAR1S1PR2LMNA
SCHEMBL9390020 0.63 MAPT (0.52) MAPTGAASMN1; SMN2RAB9A
SCHEMBL96273 0.63 ALDH1A1 (0.70) KCNH3MAPTSIGMAR1S1PR2LMNA
SCHEMBL11266466 0.63 L3MBTL1 (0.54) KCNH3MAPTSIGMAR1S1PR2LMNA

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
US-5696111-A ANTIARRHYTHMIC AGENTS MERCK & CO., INC. (US) 1997-12-09 US disclosed