SCHEMBL28345684

SCHEMBL28345684

NC(=O)C1=CC=CNC=NC1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1017726 0.67
Hydrochloric Acid SCHEMBL30468940 0.66 THRB (0.36) TSHRMAPK1HSD17B10TDP1
SCHEMBL28218045 0.64 TSHR (0.30) TSHRMAPK1HSD17B10TDP1
SCHEMBL7373583 0.63
SCHEMBL5264022 0.60
SCHEMBL7854382 0.60
SCHEMBL8333628 0.59
SCHEMBL531906 0.59
Water SCHEMBL27527439 0.58
Hydrochloric Acid SCHEMBL27880977 0.58

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-110650738-B Compounds and methods for treating parasitic diseases 博德研究所 2023-05-09 CN disclosed
CN-110650738-A Compounds and methods for treating parasitic diseases 博德研究所 2020-01-03 CN disclosed