SCHEMBL6267453

SCHEMBL6267453

Oc1cc2[nH]nnc2c(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5702826 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5702810 0.83 ACHE (0.31) ALDH1A1
SCHEMBL4649120 0.79 RHEB (0.39) HPGDTSHRHSD17B10HSP90AA1CYP3A4
SCHEMBL8625051 0.78 HSD17B10 (0.40) HPGDTSHRHSD17B10HSP90AA1CYP3A4
SCHEMBL11191995 0.77 HTT (0.40) HPGD
SCHEMBL166351 0.76 ALDH1A1 (0.35) HPGDTSHRHSD17B10CYP3A4ALDH1A1
SCHEMBL9951530 0.76 CYP3A4 (0.37) TSHRHSP90AA1CYP3A4
SCHEMBL29273452 0.75 BCL2 (0.35)
Water SCHEMBL2477029 0.74 ALDH1A1 (0.34) HPGDTSHRHSD17B10CYP3A4ALDH1A1
SCHEMBL6270748 0.74 HSD17B10 (0.43) HPGDTSHRHSD17B10HSP90AA1CYP3A4

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
EP-2655527-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS ALLNEX AUSTRIA GmbH (AT) 2013-10-30 EP claimed
WO-2012085016-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2012-06-28 WO claimed
EP-2655527-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS ALLNEX AUSTRIA GmbH (AT) 2013-10-30 EP disclosed
WO-2012085016-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2012-06-28 WO disclosed
EP-1606447-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE Lanxess B.V. (NL) 2005-12-21 EP disclosed
WO-2004083516-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE LANXESS B.V. (NL) 2004-09-30 WO disclosed
EP-0070384-A1 Benzotriazoles, their preparation and their use as fungicides CELAMERCK GmbH & Co. KG (DE) 1983-01-26 EP disclosed