SCHEMBL17487490

SCHEMBL17487490

N#Cc1cnc(Oc2ccc(CNc3nc4ccc(N)cc4[nH]3)cc2)nc1

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
GSK3B P49841 2/20 0.43
CSNK1A1 P48729 2/20 0.42
CSNK1D P48730 2/20 0.42
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
ROCK2 O75116 1/20 0.41
CHEK2 O96017 2/20 0.39
HDAC6 Q9UBN7 2/20 0.38
POLB P06746 1/20 0.38
CSNK1G2 P78368 1/20 0.37
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL17488215 0.88 RAB9A (0.48) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487354 0.86 RAB9A (0.57) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488281 0.84 RAB9A (0.45) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488040 0.84 RAB9A (0.45) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488275 0.84 CHEK2 (0.45) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487489 0.82 RAB9A (0.44) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487492 0.81 CSNK1A1 (0.41) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL18960447 0.80 NPC1 (0.47) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487684 0.80 RAB9A (0.53) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488111 0.80 RAB9A (0.48) 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