SCHEMBL9595697

SCHEMBL9595697

C=CCC1NC=Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 2/20 0.35
HTR2A P28223 1/20 0.35
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RET P07949 1/20 0.33
HTR1A P08908 1/20 0.31
GAA P10253 1/20 0.30
CTNNB1 P35222 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3807440 0.79 USP2 (0.32) ALDH1A1KDM4EMEN1KMT2AHTR2A
SCHEMBL28774778 0.77 RET (0.39) KDM4EMEN1KMT2AHTR2ARET
SCHEMBL29768307 0.77 RET (0.39) KDM4EMEN1KMT2AHTR2ARET
SCHEMBL5746641 0.74 SLC22A1 (0.42) HTR2ARETGAA
SCHEMBL29768309 0.74 SLC22A1 (0.42) HTR2ARETGAA
SCHEMBL5333422 0.71 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6533518 0.71 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7600781 0.71 HTR2A (0.34) KDM4EMEN1KMT2AHTR2ARET
SCHEMBL9138411 0.71 EGFR (0.40) MAPTHTR2AATMRETGAA
SCHEMBL7759088 0.70 HTR2A (0.37) KDM4EMEN1KMT2AHTR2ARET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441823-B2 Resin composition for optical shaping KURARAY NORITAKE DENTAL INC. (JP) 2025-10-14 US disclosed
WO-2025126917-A1 DENTAL COMPOSITION クラレノリタケデンタル株式会社 2025-06-19 WO disclosed
EP-3900693-B1 USE OF A RESIN COMPOSITION KURARAY NORITAKE DENTAL INC (JP) 2024-03-20 EP disclosed
US-20220041777-A1 RESIN COMPOSITION FOR OPTICAL SHAPING KURARAY NORITAKE DENTAL INC. (JP) 2022-02-10 US disclosed
CN-113226247-A Resin composition for stereolithography 可乐丽则武齿科株式会社 2021-08-06 CN disclosed
CN-108424745-B Active energy ray-polymerizable resin composition, adhesive, coating agent, laminate, and use of laminate 东洋油墨SC控股株式会社 2021-06-15 CN disclosed
US-5274108-A Process for preparing 1,3-dioxolane derivatives SYNTEX (U.S.A.) INC. (US) 1993-12-28 US disclosed
US-5272270-A Process for the preparation of 1-alkylisoquinoline derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1993-12-21 US disclosed
US-5272270-A Process for the preparation of 1-alkylisoquinoline derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1993-12-21 US disclosed
EP-0471303-A1 Process for the preparation of 1-alkylisoquinoline derivatives Consortium für elektrochemische Industrie GmbH (DE) 1992-02-19 EP disclosed