SCHEMBL8209736

SCHEMBL8209736

c1ccc(CNCCNc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
TP53 P04637 2/20 0.75
BCHE P06276 2/20 0.58
TRPC3 Q13507 1/20 0.58
TRPC4 Q9UBN4 1/20 0.58
TRPC5 Q9UL62 1/20 0.58
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
GFER P55789 1/20 0.53
HIF1A Q16665 1/20 0.53
GAA P10253 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL31329340 0.86 RAB9A (1.00) RAB9ASMN1; SMN2TP53BCHETRPC3
SCHEMBL3593419 0.86 RAB9A (1.00) RAB9ASMN1; SMN2TP53BCHETRPC3
SCHEMBL31147200 0.83 RAB9A (0.71) RAB9ASMN1; SMN2TP53BCHETRPC3
SCHEMBL2674051 0.83 RAB9A (0.71) RAB9ASMN1; SMN2TP53BCHETRPC3
SCHEMBL27898217 0.81 BCHE (0.68) RAB9ASMN1; SMN2TP53BCHETRPC3
SCHEMBL178883 0.78 BCHE (0.56) RAB9ASMN1; SMN2TP53BCHETRPC3
SCHEMBL10069522 0.78 SLC2A1 (0.66) RAB9ASMN1; SMN2TP53BCHETRPC3
SCHEMBL15416993 0.78 RAB9A (0.82) RAB9ASMN1; SMN2TP53BCHETRPC3
SCHEMBL20707630 0.78 RAB9A (0.67) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL6034415 0.77 BCHE (0.72) RAB9ASMN1; SMN2TP53BCHETRPC3

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
WO-2000071522-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS METHIONYL T-RNA SYNTHETASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO disclosed