SCHEMBL8063340

SCHEMBL8063340

CC(C)CCNc1ccccc1C[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
UTS2R Q9UKP6 1/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
BCHE P06276 1/20 0.36
TRPC3 Q13507 1/20 0.36
TRPC4 Q9UBN4 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
AGER Q15109 1/20 0.35
BACE1 P56817 1/20 0.35
MAPK10 P53779 1/20 0.35
SYK P43405 1/20 0.34
NQO1 P15559 1/20 0.34
NQO2 P16083 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 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
SCHEMBL6374098 0.89 SMN1; SMN2 (0.38) RAB9ASMN1; SMN2POLBNPC1ATP4A
SCHEMBL6476005 0.82 ATP4A (0.52) RAB9ASMN1; SMN2POLBNPC1ATP4A
Water SCHEMBL6481932 0.81 ATP4A (0.51) RAB9ASMN1; SMN2NPC1ATP4AATP4B
SCHEMBL6475286 0.77 LMNA (0.50) RAB9ASMN1; SMN2POLBNPC1ATP4A
Leminoprazole SCHEMBL29895760 0.76 ATP4A (0.39) RAB9ASMN1; SMN2POLBNPC1ATP4A
Leminoprazole SCHEMBL143740 0.76 ATP4A (0.39) RAB9ASMN1; SMN2POLBNPC1ATP4A
Leminoprazole SCHEMBL143739 0.76 ATP4A (0.39) RAB9ASMN1; SMN2POLBNPC1ATP4A
SCHEMBL9509195 0.76 ALDH1A1 (0.50) RAB9ASMN1; SMN2POLBNPC1ATP4A
Leminoprazole SCHEMBL19086179 0.76 ATP4A (0.38) RAB9ASMN1; SMN2POLBNPC1ATP4A
SCHEMBL6475609 0.74 ATP4A (0.50) RAB9ASMN1; SMN2POLBNPC1ATP4A

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
JP-2000119182-A HEMOXYGENASE INDUCTION PROMOTER NIPPON CHEMIPHAR CO LTD 2000-04-25 JP disclosed