SCHEMBL31268024

SCHEMBL31268024

COC(=O)c1ccc(C)c(N)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.68
KDM4E B2RXH2 9/20 0.68
ALDH1A1 P00352 9/20 0.68
HPGD P15428 7/20 0.68
HSD17B10 Q99714 4/20 0.68
GAA P10253 4/20 0.68
GLA P06280 1/20 0.68
CASP1 P29466 1/20 0.68
CASP7 P55210 1/20 0.68
ATM Q13315 1/20 0.68
TDP1 Q9NUW8 2/20 0.66
USP2 O75604 1/20 0.57
LMNA P02545 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 2/20 0.56
ALOX15 P16050 2/20 0.56
NPC1 O15118 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 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
SCHEMBL85805 1.00 MAPT (0.68) MAPTKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL6982886 0.98 MAPT (0.66) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11143238 0.89 MAPT (0.55) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11136958 0.85 PRSS1 (0.60) MAPTKDM4EALDH1A1HPGDHSD17B10
Toluic Acid SCHEMBL15941077 0.85 ALDH1A1 (0.55) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL753159 0.85 KDM4E (0.62) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL192100 0.84 KDM4E (0.72) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29375113 0.84 KDM4E (0.72) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28088268 0.84 MAPT (0.59) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27989804 0.83 MAPT (0.63) MAPTKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676475-A1 HIV-1P ROTEASE INHIBITORS AND USES THEREOF Purdue Research Foundation (US) 2026-01-14 EP disclosed
WO-2025224512-A1 NOVEL COMPOUND AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE 13 (HSD17B13) INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2025-10-30 WO disclosed
WO-2025133653-A1 IMIDAZOLE DERIVATIVES AND USE THEREOF AS ANTIFIBROTIC AGENTS VICHEM CHEMIE KUTATÓ KFT. (HU) 2025-06-26 WO disclosed
WO-2025056518-A1 5,6-DISUBSTITUTED ALKYL 1H AND 2H-INDAZOLES AS DUAL BUTYRYLCHOLINESTERASE AND p38α MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES UNIVERZA V LJUBLJANI (SI) 2025-03-20 WO disclosed
WO-2025034951-A1 PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2025-02-13 WO disclosed
WO-2024206093-A1 HIV-1P ROTEASE INHIBITORS AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2024-10-03 WO disclosed