SCHEMBL7323918

SCHEMBL7323918

COC(=O)c1c(C)c(Br)c(N)c(C(=O)O)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
LMNA P02545 3/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 2/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CISD2 Q8N5K1 1/20 0.40
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP12 P39900 2/20 0.39
MMP13 P45452 2/20 0.39
MMP14 P50281 2/20 0.39
MMP16 P51512 2/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL7319427 0.90 RAPGEF4 (0.44) TP53LMNARAPGEF4MEN1KMT2A
SCHEMBL7317823 0.81 ALDH1A1 (0.39) TP53LMNARAPGEF4MEN1KMT2A
SCHEMBL7317781 0.81 RAPGEF4 (0.47) TP53LMNARAPGEF4MEN1KMT2A
SCHEMBL7311192 0.78 HTT (0.43) TP53LMNARAPGEF4PKMALDH1A1
SCHEMBL7323004 0.78 RAPGEF4 (0.48) TP53LMNARAPGEF4MEN1KMT2A
SCHEMBL7318168 0.77 MMP1 (0.42) MEN1KMT2AALDH1A1MMP9MMP13
SCHEMBL7323700 0.77 RAPGEF4 (0.48) TP53LMNARAPGEF4MEN1KMT2A
SCHEMBL7323686 0.77 ALDH1A1 (0.46) TP53LMNAMEN1KMT2APKM
SCHEMBL7313804 0.76 ALDH1A1 (0.45) TP53LMNAMEN1KMT2APKM
SCHEMBL7322418 0.76 THRB (0.42) TP53LMNARAPGEF4MEN1KMT2A

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed