SCHEMBL23034143

SCHEMBL23034143

COC(=O)c1cc(-c2nc3cc(NC(C)=O)ccc3o2)ccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.71
▸ NPC1 O15118 8/20 0.64
▸ RAB9A P51151 8/20 0.64
▸ KDM4E B2RXH2 7/20 0.64
▸ ALDH1A1 P00352 6/20 0.64
▸ POLB P06746 4/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ UTRN P46939 1/20 0.62
▸ CASP3 P42574 3/20 0.56
▸ SENP7 Q9BQF6 3/20 0.56
▸ SENP8 Q96LD8 2/20 0.56
▸ SENP6 Q9GZR1 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HPGD P15428 5/20 0.54
▸ HSD17B10 Q99714 5/20 0.54
▸ NFKB1 P19838 2/20 0.54
▸ NFKB2 Q00653 2/20 0.54
▸ RELA Q04206 2/20 0.54

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
SCHEMBL29479597 0.89 NPC1 (0.70) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23012175 0.89 NPC1 (0.70) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL31165939 0.88 KDM4E (0.64) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23012520 0.88 KDM4E (0.64) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23033654 0.88 MAPT (0.54) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL29479624 0.86 MAPT (0.53) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23012893 0.86 MAPT (0.53) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23033327 0.86 MAPT (0.53) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23012197 0.86 NPC1 (0.57) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL29479722 0.85 NPC1 (0.54) MAPTNPC1RAB9AKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289826-A1 SALT AND CRYSTAL FORM OF HA INHIBITOR COMPOUND Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-12-13 — — EP disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
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