SCHEMBL28070698

SCHEMBL28070698

Cc1n[nH]nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.47
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
CRHR1 P34998 4/20 0.43
ALPL P05186 6/20 0.43
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
DYRK1A Q13627 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
SCHEMBL8746755 0.75 MAPT (0.49) HSD11B1MAPTHPGDHSP90AA1HSP90AB1
SCHEMBL31438214 0.75 ERBB2 (0.61) MAPTHPGDALPL
SCHEMBL4338636 0.71 HSD11B1 (0.47) HSD11B1HSP90AA1HSP90AB1CRHR1ALPL
SCHEMBL18385896 0.71 NPC1 (0.57) MAPTHPGDALPL
SCHEMBL8368586 0.71 MAPT (0.49) HSD11B1MAPTHPGDHSP90AA1HSP90AB1
SCHEMBL15444885 0.70 HSD11B1 (0.46) HSD11B1MAPTHPGDHSP90AA1HSP90AB1
SCHEMBL6101031 0.69 CRHR1 (0.48) HSD11B1HPGDHSP90AA1HSP90AB1CRHR1
SCHEMBL29098442 0.69 GUSB (0.51) HSD11B1MAPTHPGDHSP90AA1HSP90AB1
SCHEMBL7041005 0.69 HSD11B1 (0.45) HSD11B1MAPTHPGDHSP90AA1HSP90AB1
SCHEMBL6101843 0.69 CRHR1 (0.55) HSD11B1MAPTHPGDHSP90AA1HSP90AB1

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
CN-105669569-B A kind of synthetic method of the triazole compounds of NH 1,2,3 武汉工程大学 2017-12-12 CN disclosed
CN-105669569-A Synthesis method of NH-1,2,3-triazole compound 武汉工程大学 2016-06-15 CN disclosed