SCHEMBL23691950

SCHEMBL23691950

CC(=O)Cc1ccc2c(c1)sc1ccc(CC(C)=O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN12 Q05209 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
TSHR P16473 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL11237206 0.81 KDM4E (0.47) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL11243330 0.80 SLC22A12 (0.45) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL11253323 0.79 CYP1A2 (0.47) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL11240004 0.78 KDM4E (0.44) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL4175587 0.77 HPGD (0.33) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL11246646 0.76 CA2 (0.49) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL11246422 0.75 KDM4E (0.44) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL11240017 0.75 KEAP1 (0.51) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL11253511 0.75 KDM4E (0.42) HPGDKDM4EMAPTMEN1KMT2A
SCHEMBL11244551 0.75 KDM4E (0.44) HPGDKDM4EALDH1A1MAPTHSD17B10

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
US-11535703-B2 Methanesulfonic acid mediated solvent free synthesis of conjugated porous polymer networks THE TEXAS A&M UNIVERSITY SYSTEM (US) 2022-12-27 US disclosed
US-20210230359-A1 Methanesulfonic Acid Mediated Solvent Free Synthesis of Conjugated Porous Polymer Networks THE TEXAS A&M UNIVERSITY SYSTEM 2021-07-29 US disclosed