SCHEMBL11241846

SCHEMBL11241846

CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)NC(C)C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
MAPT P10636 2/20 0.62
POLB P06746 2/20 0.59
PLA2G7 Q13093 1/20 0.58
ADAMTS4 O75173 1/20 0.56
MMP2 P08253 4/20 0.56
MMP9 P14780 4/20 0.56
MMP1 P03956 2/20 0.56
MMP8 P22894 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
MMP13 P45452 1/20 0.56
IDO1 P14902 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
CRHBP P24387 1/20 0.55
HTT P42858 1/20 0.55
CRHR2 Q13324 1/20 0.55
MMP3 P08254 1/20 0.54

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
SCHEMBL7908701 0.91 POLB (0.68) LMNAMAPTPOLBADAMTS4MMP2
SCHEMBL11242568 0.84 LMNA (0.69) LMNAMAPTPOLBPLA2G7MMP2
SCHEMBL10536063 0.82 PKM (0.70) LMNAMAPTPLA2G7MMP2MMP9
SCHEMBL9815431 0.82 PKM (0.70) LMNAMAPTPLA2G7MMP2MMP9
SCHEMBL11239362 0.80 MMP2 (0.60) PLA2G7MMP2MMP9MMP1MMP8
SCHEMBL11249713 0.80 POLB (0.66) LMNAMAPTPOLBPLA2G7MMP2
SCHEMBL24200403 0.80 KMT2A (0.59) LMNAMAPTPOLBCA1CA2
SCHEMBL6516221 0.79 KMT2A (0.73) LMNAMAPTPOLBCA1CA2
SCHEMBL31500692 0.79 MMP2 (0.59) LMNAMAPTPOLBPLA2G7MMP2
SCHEMBL16000119 0.79 MMP9 (0.68) LMNAMAPTPOLBADAMTS4MMP2

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-4337274-A Flukicidal compounds BURROUGHS WELLCOME CO. (US) 1982-06-29 US claimed
US-4337274-A Flukicidal compounds BURROUGHS WELLCOME CO. (US) 1982-06-29 US disclosed