SCHEMBL28462890

SCHEMBL28462890

C(=Cc1nc2ccccc2[nH]1)c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.71
▸ RAB9A P51151 9/20 0.71
▸ KDM4E B2RXH2 8/20 0.71
▸ ALDH1A1 P00352 8/20 0.71
▸ MEN1 O00255 8/20 0.71
▸ KMT2A Q03164 8/20 0.71
▸ SMN1; SMN2 Q16637 5/20 0.71
▸ HPGD P15428 4/20 0.71
▸ PKM P14618 3/20 0.71
▸ HSP90AA1 P07900 1/20 0.71
▸ MAPT P10636 7/20 0.60
▸ LMNA P02545 4/20 0.60
▸ GAA P10253 3/20 0.60
▸ GLA P06280 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ CYP11B1 P15538 1/20 0.54
▸ CYP11B2 P19099 1/20 0.54
▸ HTT P42858 3/20 0.52
▸ NFKB1 P19838 2/20 0.52
▸ NFKB2 Q00653 2/20 0.52

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
SCHEMBL29660212 0.84 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL537905 0.84 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL537904 0.84 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL31305038 0.82 NPC1 (0.89) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL1086983 0.82 ALDH1A1 (0.81) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL1086985 0.82 ALDH1A1 (0.81) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL29539476 0.82 ALDH1A1 (0.81) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL2458502 0.80 RAB9A (1.00) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL7287844 0.80 RAB9A (0.54) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL1900921 0.80 KMT2A (0.74) NPC1RAB9AKDM4EALDH1A1MEN1

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
CN-108950645-B Aluminum and aluminum alloy anodic oxidation nickel-free sealing agent 上海铝通化学科技有限公司 2020-10-23 — — CN disclosed
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