Anisole

Anisole

SCHEMBL28270507

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.COc1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.48
▸ LTA4H P09960 1/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ TP53 P04637 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CASP3 P42574 2/20 0.40

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
SCHEMBL28546516 0.83 KDM4E (0.36) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL8003377 0.83 KDM4E (0.36) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL28142259 0.83 ACHE (0.39) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL27971513 0.83 KDM4E (0.36) NPC1RAB9AKDM4ETP53ALDH1A1
Methoxymethane SCHEMBL28698428 0.83 STAT3 (0.38) STAT3STAT1
Methoxymethane SCHEMBL27581743 0.83 STAT3 (0.38) STAT3STAT1
Benzene SCHEMBL1525265 0.83 STAT3 (0.47) NPC1RAB9AKDM4ETP53ALDH1A1
Benzene SCHEMBL29181649 0.83 STAT3 (0.47) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL29062203 0.83 STAT3 (0.41) STAT3STAT1
Hydrochloric Acid SCHEMBL28455870 0.82 L3MBTL1 (0.37) NPC1RAB9AKDM4ETP53ALDH1A1

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-109301266-A Oxygen reduction catalyst and its preparation method and application 德州新动能铁塔发电有限公司 2019-02-01 — — CN claimed
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