SCHEMBL20041709

SCHEMBL20041709

c1ccc2c(c1)nc1[nH]c3ccc(-c4ccc5oc6c(-c7ccc8c(c7)n7c9ccccc9nc7n8-c7ccc8nc9oc%10ccccc%10n9c8c7)cccc6c5c4)cc3n12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX5 P09917 1/20 0.30

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
SCHEMBL20041682 0.92 NPC1 (0.34) NPC1RAB9A
SCHEMBL20041425 0.88 NPC1 (0.35) NPC1RAB9A
SCHEMBL20041539 0.88 NPC1 (0.34) NPC1RAB9A
SCHEMBL20041708 0.88 NPC1 (0.34) NPC1RAB9AALOX5
SCHEMBL20041530 0.88 NPC1 (0.33) NPC1RAB9A
SCHEMBL20041636 0.87 NPC1 (0.33) NPC1RAB9A
SCHEMBL20041534 0.86 NPC1 (0.35) NPC1RAB9A
SCHEMBL20041535 0.85 NPC1 (0.32) NPC1RAB9A
SCHEMBL20041473 0.82 KDM4E (0.31) NPC1RAB9A
SCHEMBL18831021 0.79 ALOX5 (0.46) NPC1RAB9AALOX5

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
EP-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed