SCHEMBL17488017

SCHEMBL17488017

Cc1ccc(Oc2ccc(CNc3nc4ccc(N)cc4[nH]3)cc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
GFER P55789 1/20 0.47
HIF1A Q16665 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
HPSE Q9Y251 1/20 0.42
ALDH1A1 P00352 1/20 0.39
CHEK2 O96017 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
POLB P06746 2/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GSK3B P49841 3/20 0.37

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
SCHEMBL17487452 0.81 RAB9A (0.47) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488134 0.81 RAB9A (0.47) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488276 0.81 RAB9A (0.47) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488018 0.81 RAB9A (0.43) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487684 0.81 RAB9A (0.53) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487826 0.80 RAB9A (0.46) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487491 0.80 RAB9A (0.47) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL18960436 0.80 NPC1 (0.45) RAB9ASMN1; SMN2TP53LMNAALDH1A1
SCHEMBL17487354 0.79 RAB9A (0.57) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488110 0.79 RAB9A (0.47) 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