SCHEMBL17488122

SCHEMBL17488122

Nc1ccc2nc(NCc3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.52
GRIN2B Q13224 1/20 0.52
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
HPSE Q9Y251 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45
HIF1A Q16665 1/20 0.45
CHEK2 O96017 2/20 0.44
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
HDAC6 Q9UBN7 2/20 0.40
MPO P05164 1/20 0.40
MTOR P42345 1/20 0.40
FABP4 P15090 1/20 0.40
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
KCNN3 Q9UGI6 1/20 0.39

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
SCHEMBL17488200 0.91 RAB9A (0.42) GRIN1GRIN2BRAB9ASMN1; SMN2TP53
SCHEMBL17488040 0.90 RAB9A (0.45) GRIN1GRIN2BRAB9ASMN1; SMN2TP53
SCHEMBL17487327 0.88 RAB9A (0.45) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487684 0.85 RAB9A (0.53) GRIN1GRIN2BRAB9ASMN1; SMN2TP53
SCHEMBL17488199 0.85 RAB9A (0.56) GRIN1GRIN2BRAB9ASMN1; SMN2TP53
SCHEMBL17488095 0.82 RAB9A (0.49) GRIN1GRIN2BRAB9ASMN1; SMN2TP53
SCHEMBL17487354 0.81 RAB9A (0.57) GRIN1GRIN2BRAB9ASMN1; SMN2TP53
SCHEMBL17488284 0.81 POLB (0.46) GRIN1GRIN2BRAB9ASMN1; SMN2TP53
SCHEMBL17488111 0.81 RAB9A (0.48) GRIN1GRIN2BRAB9ASMN1; SMN2TP53
SCHEMBL17488215 0.81 RAB9A (0.48) GRIN1GRIN2BRAB9ASMN1; SMN2TP53

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