SCHEMBL9464374

SCHEMBL9464374

CN(c1ccc(I)c(Cl)c1)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
ALDH1A1 P00352 3/20 0.38
HTT P42858 4/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
RECQL P46063 1/20 0.37
RAB9A P51151 4/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL12018096 0.83 MAPT (0.48) MAPTLMNAMEN1KMT2AUSP2
SCHEMBL9464475 0.80 NPSR1 (0.44) MAPTLMNAMEN1KMT2AUSP2
SCHEMBL1018173 0.75 SMN1; SMN2 (0.49) MAPTLMNAMEN1KMT2AUSP2
SCHEMBL18687304 0.73 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL9467120 0.72 NPSR1 (0.43) MAPTLMNAMEN1KMT2AUSP2
SCHEMBL6320855 0.72 ALDH1A1 (0.53) MAPTLMNAMEN1KMT2AUSP2
SCHEMBL11367059 0.72 KDM4E (0.42) MAPTLMNAMEN1KMT2AUSP2
SCHEMBL13145702 0.72 MAPT (0.40) MAPTLMNAMEN1KMT2AUSP2
SCHEMBL26512859 0.71 KMT2A (0.39) MAPTLMNAMEN1KMT2AUSP2
SCHEMBL1020557 0.71 KMT2A (0.52) MAPTLMNAMEN1KMT2AUSP2

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
US-5258399-A 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-02 US disclosed
US-5236948-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed