SCHEMBL17488240

SCHEMBL17488240

Oc1ccc(Oc2ccc(CNc3nc4ccc(NC5COC5)cc4[nH]3)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
HIF1A Q16665 1/20 0.36
IL6 P05231 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
SCN9A Q15858 2/20 0.35
POLB P06746 1/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
PDE10A Q9Y233 1/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL17488105 0.90 RAB9A (0.41) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488159 0.90 RAB9A (0.41) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488013 0.88 RAB9A (0.39) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488103 0.88 SCN9A (0.47) RAB9ASMN1; SMN2TP53SCN9AKDR
SCHEMBL17487504 0.85 RAB9A (0.41) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488018 0.84 RAB9A (0.43) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487495 0.83 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487676 0.83 CYP3A4 (0.36) RAB9ASMN1; SMN2TP53LMNAIL6
SCHEMBL17487996 0.83 RAB9A (0.45) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487715 0.83 KDR (0.36) RAB9ASMN1; SMN2TP53GFERSCN9A

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