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Sugi Predict / Compounds / SCHEMBL20041534

SCHEMBL20041534

SCHEMBL20041534

c1ccc(-n2c3ccc(-c4ccc5[nH]c6nc7ccccc7n6c5c4)cc3c3cc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4ccc5nc6oc7ccccc7n6c5c4)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL20041425 0.96 NPC1 (0.35) NPC1RAB9A
SCHEMBL20041636 0.95 NPC1 (0.33) NPC1RAB9A
SCHEMBL20041539 0.93 NPC1 (0.34) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL20041682 0.92 NPC1 (0.34) NPC1RAB9A
SCHEMBL20041530 0.91 NPC1 (0.33) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL20041535 0.88 NPC1 (0.32) NPC1RAB9A
SCHEMBL17507379 0.86 NPC1 (0.37) NPC1RAB9A
SCHEMBL20041709 0.86 NPC1 (0.32) NPC1RAB9A
SCHEMBL20041473 0.83 KDM4E (0.31) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL17507380 0.82 NPC1 (0.38) NPC1RAB9A

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