SCHEMBL17488276

SCHEMBL17488276

Nc1ccc2nc(NCc3ccc(Oc4ccc(O)cn4)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 2/20 0.43
GRIN2B Q13224 2/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
HIF1A Q16665 1/20 0.42
HPSE Q9Y251 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
POLB P06746 1/20 0.40
CHEK2 O96017 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC1 Q13547 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
GSK3B P49841 1/20 0.36
EGFR P00533 1/20 0.36

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 0.88 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488134 0.88 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488113 0.86 RAB9A (0.44) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488110 0.84 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487491 0.83 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488240 0.81 RAB9A (0.41) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488017 0.81 RAB9A (0.50) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488281 0.80 RAB9A (0.45) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487354 0.80 RAB9A (0.57) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487714 0.80 MEN1 (0.40) 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