SCHEMBL30725930

SCHEMBL30725930

N#COc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
KCNA3 P22001 1/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HSD17B10 Q99714 3/20 0.42
PGR P06401 1/20 0.42
GAA P10253 1/20 0.42
PTGS1 P23219 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR1D P28221 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL822708 1.00 HTR1B (0.46) HTR1BALDH1A1KDM4ETDP1KCNA3
Hydrogen Sulfide SCHEMBL28001728 0.98 HTR1B (0.44) HTR1BALDH1A1KDM4ETDP1KCNA3
Phenol SCHEMBL22711032 0.89 KDM4E (0.44) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL29397402 0.86 IMPDH2 (0.38) ALDH1A1KDM4ECA1CA2GAA
SCHEMBL3423696 0.86 IMPDH2 (0.38) ALDH1A1KDM4ECA1CA2GAA
SCHEMBL20555926 0.82 NQO1 (0.39) HTR1BALDH1A1KDM4EKCNA3HPGD
SCHEMBL29364244 0.81 IMPDH2 (0.47) ALDH1A1KDM4ECA1CA2GAA
SCHEMBL184490 0.81 IMPDH2 (0.47) ALDH1A1KDM4ECA1CA2GAA
SCHEMBL30337147 0.79 MAPT (0.57) ALDH1A1KDM4ETDP1HPGDCA1
SCHEMBL7724729 0.79 MAPT (0.57) ALDH1A1KDM4ETDP1HPGDCA1

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
WO-2025031588-A1 CURABLE ORGANOSILOXANE-MODIFIED REACTION RESINS WACKER CHEMIE AG (DE) 2025-02-13 WO disclosed
EP-4153658-B1 CROSS-LINKABLE ORGANOSILOXANE-MODIFIED REACTION RESINS WACKER CHEMIE AG (DE) 2023-12-06 EP disclosed