SCHEMBL31237388

SCHEMBL31237388

NC(=S)NN=Cc1nccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NCOA3 Q9Y6Q9 3/20 1.00
▸ NCOA1 Q15788 2/20 0.67
▸ RRM2 P31350 3/20 0.59
▸ RRM1 P23921 1/20 0.59
▸ RRM2B Q7LG56 1/20 0.59
▸ CISD1 Q9NZ45 1/20 0.59
▸ MAPT P10636 4/20 0.57
▸ GAA P10253 3/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ G6PD P11413 1/20 0.52
▸ ATM Q13315 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ GUSB P08236 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL782069 1.00 NCOA3 (1.00) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL29773648 1.00 NCOA3 (1.00) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL13927328 1.00 NCOA3 (1.00) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL13380986 0.87 NCOA3 (0.77) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL29773638 0.83 NCOA3 (0.71) NCOA3NCOA1RRM2MAPTGAA
SCHEMBL29773611 0.82 NCOA3 (0.70) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL29773626 0.82 NCOA3 (0.70) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL29773644 0.81 NCOA3 (0.68) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL29773649 0.81 NCOA3 (1.00) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL21649903 0.78 NCOA3 (0.64) NCOA3RRM1MAPTGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
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