SCHEMBL11298756

SCHEMBL11298756

Nc1ccc(N2CCSC(=O)N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ALOX5 P09917 6/20 0.38
ALOX12 P18054 3/20 0.36
ALOX15 P16050 2/20 0.36
G6PD P11413 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 7/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
RECQL P46063 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL11084169 0.67 ALOX5 (0.42) DDB1CRBNALOX5ALOX12ALOX15
SCHEMBL10800977 0.63 INMT (0.40) DDB1CRBNALOX12ALOX15MAPT
SCHEMBL3131857 0.62 CYP19A1 (0.44) DDB1CRBNALOX5G6PDMAPT
SCHEMBL4712786 0.61 DDB1 (0.56) DDB1CRBNALOX12ALOX15MAPT
SCHEMBL8077864 0.60 DDB1 (0.39) DDB1CRBNALOX12ALOX15MAPT
SCHEMBL25846387 0.59 DDB1 (0.60) DDB1CRBNALOX12ALOX15MAPT
SCHEMBL3035197 0.59 LGMN (0.60) ALOX12ALOX15MAPTALDH1A1KDM4E
SCHEMBL23347931 0.58 MAPT (0.77) DDB1CRBNALOX12ALOX15MAPT
SCHEMBL6151120 0.58 MAPT (0.77) DDB1CRBNALOX12ALOX15MAPT
SCHEMBL7043679 0.58 MAPT (0.77) DDB1CRBNALOX12ALOX15MAPT

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-0052442-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-05-26 EP disclosed