SCHEMBL17487495

SCHEMBL17487495

Nc1ncc(Oc2ccc(CNc3nc4ccc(NC5COC5)cc4[nH]3)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
HIF1A Q16665 1/20 0.38
GRIN1 Q05586 5/20 0.35
GRIN2B Q13224 5/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
POLB P06746 1/20 0.34
IL6 P05231 1/20 0.34
TLR7 Q9NYK1 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
SCHEMBL17488124 0.89 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487996 0.87 RAB9A (0.45) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488041 0.86 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488096 0.85 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488236 0.85 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488108 0.85 RAB9A (0.43) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488043 0.84 RAB9A (0.39) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488159 0.83 RAB9A (0.41) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487492 0.83 CSNK1A1 (0.41) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487716 0.83 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2TP53LMNAHTT

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