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SCHEMBL14528653

SCHEMBL14528653

NCCCOc1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccc(OCCCN5C(=O)c6ccccc6C5=O)cc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TOP1 P11387 1/20 0.46
▸ BACE1 P56817 9/20 0.41
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 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
SCHEMBL10050486 0.95 RAB9A (0.51) RAB9AMAPTSMN1; SMN2TOP1BACE1
SCHEMBL10050504 0.91 RAB9A (0.52) RAB9AMAPTSMN1; SMN2TOP1BACE1
SCHEMBL10050501 0.88 RAB9A (0.44) RAB9AMAPTSMN1; SMN2TOP1BACE1
SCHEMBL2549051 0.86 TOP1 (0.60) RAB9AMAPTTOP1NPC1
SCHEMBL9230080 0.86 TOP1 (0.60) RAB9AMAPTTOP1NPC1
SCHEMBL10075064 0.84 RAB9A (0.49) RAB9AMAPTSMN1; SMN2BACE1HPGD
SCHEMBL10050511 0.81 TOP1 (0.54) RAB9AMAPTTOP1NPC1
SCHEMBL8908471 0.81 RAB9A (0.52) RAB9AMAPTSMN1; SMN2BACE1HPGD
SCHEMBL10074756 0.80 RAB9A (0.50) RAB9AMAPTSMN1; SMN2BACE1HPGD
SCHEMBL10050498 0.78 RAB9A (0.43) RAB9AMAPTSMN1; SMN2BACE1HPGD

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-2007051947-A1 NOVEL ELECTROPOLYMERISABLE MONOMERS WHICH ARE SOLUBLE IN AN AQUEOUS SOLUTION AND COMPRISE A METALLOPORPHYRINE BIOMERIEUX (FR) 2007-05-10 — — WO disclosed
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