SCHEMBL17487491

SCHEMBL17487491

Nc1ccc2nc(NCc3ccc(Oc4ccncn4)cc3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
GFER P55789 1/20 0.42
HIF1A Q16665 1/20 0.42
HPSE Q9Y251 1/20 0.42
CHEK2 O96017 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
POLB P06746 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HDAC1 Q13547 1/20 0.36
ROCK2 O75116 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL17487354 0.83 RAB9A (0.57) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488276 0.83 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487452 0.83 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488134 0.83 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488110 0.81 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488113 0.81 RAB9A (0.44) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487504 0.81 RAB9A (0.41) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487684 0.81 RAB9A (0.53) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488017 0.80 RAB9A (0.50) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL18960448 0.79 NPC1 (0.47) RAB9ASMN1; SMN2TP53LMNAALDH1A1

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