SCHEMBL17488041

SCHEMBL17488041

Nc1ccc2nc(Oc3ccc(CNc4nc5ccc(NC6COC6)cc5[nH]4)cc3)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
HIF1A Q16665 1/20 0.38
HPSE Q9Y251 1/20 0.38
CHEK2 O96017 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
ALDH1A1 P00352 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 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
SCHEMBL17488033 0.89 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487495 0.86 RAB9A (0.42) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487996 0.85 RAB9A (0.45) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488108 0.83 RAB9A (0.43) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488096 0.81 RAB9A (0.42) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488236 0.81 RAB9A (0.42) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488124 0.81 RAB9A (0.42) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487837 0.81 RAB9A (0.48) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487504 0.81 RAB9A (0.41) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488018 0.81 RAB9A (0.43) RAB9ASMN1; SMN2TP53GRIN1GRIN2B

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-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed