SCHEMBL9739995

SCHEMBL9739995

Cc1cc(Br)cc(C)c1S(=O)O.[NaH]

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL9740926 0.98 NMT1 (0.35) NMT1ALDH1A1KDM4EMEN1CYP1A2
SCHEMBL1023387 0.81 CA1 (0.35) ALDH1A1KDM4E
SCHEMBL345129 0.78 CA1 (0.37) ALDH1A1KDM4E
SCHEMBL12856118 0.78 CA1 (0.37) ALDH1A1KDM4E
SCHEMBL1022571 0.76 CA1 (0.35) ALDH1A1KDM4E
SCHEMBL1024671 0.76 CA1 (0.35) ALDH1A1KDM4E
SCHEMBL1022384 0.76 CA1 (0.35) ALDH1A1KDM4E
SCHEMBL9520705 0.74 PDE10A (0.38) ALDH1A1KDM4EMEN1CYP1A2KMT2A
SCHEMBL9739990 0.73 NMT1 (0.54) NMT1
SCHEMBL16404373 0.73 POLB (0.43) ALDH1A1

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
US-5153227-A Treatment of diabetes and galactosemia complications IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-06 US disclosed