SCHEMBL29936552

SCHEMBL29936552

COc1ccc(Cl)c2c(=O)c3ccccc3sc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
HPGD P15428 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
NSD2 O96028 1/20 0.40
RAD52 P43351 1/20 0.40
HCRTR1 O43613 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL13798431 1.00 MAPT (0.58) MAPTHPGDNPC1RAB9ACYP1A2
SCHEMBL1614175 0.88 MAPT (0.64) MAPTHPGDNPC1RAB9ACYP1A2
SCHEMBL21206935 0.85 MAPT (0.61) MAPTHPGDNPC1RAB9ACYP1A2
SCHEMBL1614833 0.85 MAPT (0.45) MAPTHPGDNPC1RAB9ACYP1A2
SCHEMBL14556883 0.85 MAPT (0.45) MAPTHPGDNPC1RAB9ACYP1A2
SCHEMBL8080077 0.84 MAPT (0.44) MAPTHPGDNPC1RAB9ACYP1A2
SCHEMBL21200719 0.83 MAPT (0.43) MAPTHPGDNPC1RAB9ACYP1A2
SCHEMBL13798168 0.83 MAPT (0.52) MAPTHPGDNPC1RAB9ACYP1A2
SCHEMBL25556885 0.83 MAPT (0.58) MAPTHPGDNPC1RAB9ACYP1A2
SCHEMBL25556876 0.83 MAPT (0.58) MAPTHPGDNPC1RAB9ACYP1A2

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
EP-4087889-B1 STABLE MASS POLYMERIZABLE POLYCYCLOOLEFIN COMPOSITIONS AS 3D PRINTING MATERIALS AND A METHOD OF FABRICATION THEREOF PROMERUS LLC (US) 2024-03-06 EP claimed
EP-4085083-A1 UV ACTIVE DERIVATIVES OF PD(ACAC)2 CATALYZED POLYCYCLOOLEFIN COMPOSITIONS AS OPTICAL MATERIALS Promerus, LLC (US) 2022-11-09 EP claimed