SCHEMBL29469736

SCHEMBL29469736

CCN(C(N)=S)c1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 6/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4949707 1.00 SIGMAR1 (0.62) SIGMAR1L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL8392327 0.87 SIGMAR1 (0.52) SIGMAR1L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL27515197 0.83 SIGMAR1 (0.62) SIGMAR1L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL6717237 0.81 SIGMAR1 (0.81) SIGMAR1L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL28384717 0.78 SIGMAR1 (0.58) SIGMAR1L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL1567112 0.78 SIGMAR1 (0.62) SIGMAR1L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL3255855 0.78 SIGMAR1 (0.62) SIGMAR1L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL3807502 0.78 SIGMAR1 (0.62) SIGMAR1L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL27559476 0.77 SIGMAR1 (0.65) SIGMAR1L3MBTL1ALDH1A1KMT2A
SCHEMBL6719529 0.77 SIGMAR1 (1.00) SIGMAR1L3MBTL1KMT2ALMNAMAPT

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
EP-3059277-B2 INHIBITOR COMPOSITION FOR RACKS WHEN USING CHROME FREE ETCHES IN A PLATING ON PLASTICS PROCESS MACDERMID ENTHONE INC (US) 2022-03-30 EP disclosed