SCHEMBL10050325

SCHEMBL10050325

C#CCS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.59
CA2 P00918 5/20 0.45
IDO1 P14902 2/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 3/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL11017416 0.81 ALDH1A1 (0.50) CA2CA12CA9CA1MMP1
SCHEMBL3195077 0.79 PLCG1 (0.59) PLCG1CA2IDO1CA12CA9
SCHEMBL11964589 0.79 ALDH1A1 (0.55) CA2CA12CA9CA1KMT2A
SCHEMBL2522787 0.79 GAA (0.55) CA2CA12CA9CA1MMP1
SCHEMBL1482097 0.78 PSIP1 (0.54) CA2CA12CA9CA1TDP1
Hydrochloric Acid SCHEMBL9463319 0.78 GAA (0.59) CA2CA12CA9CA1MMP1
SCHEMBL19645496 0.77 PLCG1 (0.52) PLCG1CA2KMT2ACYP3A4CYP2C9
SCHEMBL3253487 0.75 PLCG1 (1.00) PLCG1CA2IDO1CA12CA9
SCHEMBL6422563 0.75 PKM (0.53) CA2CA1MMP1MMP2MMP9
SCHEMBL9704914 0.73 PLCG1 (0.70) PLCG1CA2IDO1CA12CA9

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
WO-2012027698-A1 MUTANT HPGG MOTIF AND HDASH MOTIF DELTA-5 DESATURASES AND THEIR USE IN MAKING POLYUNSATURATED FATTY ACIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-01 WO disclosed
US-7887805-B2 comprising two different chimeric anti-hEGFR (Epidermal Growth Factor Receptor) antibodies which show a new mechanism of action based on rapid and efficient receptor internalization, induction of terminal differentiation and subsequent tumour eradication in an animal model SYMPHOGEN A/S (DK) 2011-02-15 US disclosed