SCHEMBL11023945

SCHEMBL11023945

CCOc1cc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 1/20 0.40
SYK P43405 1/20 0.40
ADORA1 P30542 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ADORA2A P29274 2/20 0.37
ALOX5 P09917 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TLR8 Q9NR97 1/20 0.37
MAOB P27338 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
GUSB P08236 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL10361466 0.77 ALOX5 (0.49) S1PR1S1PR3KDM4EHSD17B10ALOX5
SCHEMBL268758 0.77 L3MBTL1 (0.43) S1PR1S1PR3KDM4EHSD17B10MEN1
SCHEMBL29366362 0.77 L3MBTL1 (0.43) S1PR1S1PR3KDM4EHSD17B10MEN1
SCHEMBL3190486 0.75 NPSR1 (0.44) KDM4EHSD17B10NPC1RAB9AMEN1
SCHEMBL31174130 0.73 CASP3 (0.44) KDM4EHSD17B10NPC1RAB9AMEN1
SCHEMBL3830957 0.73 CYP19A1 (0.38) KDM4EHSD17B10NPC1RAB9AMEN1
SCHEMBL8040923 0.73 S1PR1 (0.43) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL392622 0.72 CYP11B1 (0.49) S1PR1KMT2A
SCHEMBL991686 0.71 TP53 (0.47) KDM4EHSD17B10NPC1RAB9AMAOB
SCHEMBL11467665 0.70 ALOX5 (0.46) ADORA1ADORA2AALOX5RAB9ATLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049840-B1 PROCESS FOR THE PRODUCTION OF RELIEF COPIES HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-09 EP disclosed
US-4421844-A COMPOUND WHICH SPLITS OFF ACID AND CLEAVABLE ETHER COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1983-12-20 US disclosed
EP-0049840-A2 Process for the production of relief copies HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-21 EP disclosed