SCHEMBL9817857

SCHEMBL9817857

COC(=O)c1cccc(N)c1N(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
HSD17B10 Q99714 4/20 0.62
CFTR P13569 2/20 0.62
KDM4E B2RXH2 6/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 5/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
GLA P06280 2/20 0.45
ATM Q13315 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL27736140 0.87 TSHR (0.53) ALDH1A1HSD17B10CFTRKDM4ELMNA
SCHEMBL28137440 0.84 TSHR (0.47) ALDH1A1HSD17B10CFTRKDM4ELMNA
SCHEMBL27416539 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10KDM4ELMNATSHR
SCHEMBL10455717 0.82 MMP2 (0.57) ALDH1A1HSD17B10CFTRKDM4ETSHR
SCHEMBL6645925 0.81 POLB (0.48) ALDH1A1HSD17B10CFTRKDM4ELMNA
SCHEMBL31589985 0.78 ALDH1A1 (0.71) ALDH1A1HSD17B10CFTRKDM4ELMNA
SCHEMBL505249 0.78 ALDH1A1 (0.71) ALDH1A1HSD17B10CFTRKDM4ELMNA
Methyl Anthranilate SCHEMBL901249 0.77 ALDH1A1 (1.00) ALDH1A1HSD17B10CFTRKDM4ELMNA
Methyl Anthranilate SCHEMBL29564148 0.77 ALDH1A1 (1.00) ALDH1A1HSD17B10CFTRKDM4ELMNA
Methyl Anthranilate SCHEMBL57713 0.77 ALDH1A1 (1.00) ALDH1A1HSD17B10CFTRKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182764-A1 ADHESIVE PRECURSOR COMPOSITION AND HEAT-EXPANDABLE TEMPORARY ADHESIVE THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2024-06-06 US disclosed
EP-4314180-A1 ADHESIVE PRECURSOR COMPOSITION AND HEAT-EXPANDABLE TEMPORARY ADHESIVE THEREFROM 3M Innovative Properties Company (US) 2024-02-07 EP disclosed
WO-2022253713-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 WO disclosed
WO-2022208316-A1 ADHESIVE PRECURSOR COMPOSITION AND HEAT-EXPANDABLE TEMPORARY ADHESIVE THEREFROM 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-10-06 WO disclosed
EP-0234430-B1 DILUENT FOR UV AND EB CURABLE RESINS Kohjin Co., Ltd. (JP) 1991-11-13 EP disclosed
US-4886840-A ACRYLOYLMORPHOLINE COMPOUND KOHJIN CO., LTD. (JP) 1989-12-12 US disclosed
US-4595745-A Polycondensation product of aromatic dicarboxylic acid component comprising acids and acid halides with organic diamine comprising diamino chalcone and ester or ether containing diamine and nonphotocrosslinkable diamine UBE INDUSTRIES, LTD. (JP) 1986-06-17 US disclosed