SCHEMBL7189352

SCHEMBL7189352

Cc1ccc(S(=O)(=O)N(C(=O)[C@H]2NC(C)(C)CS2)[C@@H](Cc2ccc(NC(=O)c3ccncc3)cc2)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 5/20 0.41
HPGD P15428 1/20 0.41
NAMPT P43490 2/20 0.39
CA9 Q16790 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
CA12 O43570 1/20 0.38
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6712491 0.93 MMP9 (0.48) MMP9KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL7174955 0.92 KMT2A (0.42) MMP9KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL6709350 0.91 ALDH1A1 (0.46) MMP9KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL7538007 0.90 MMP9 (0.46) MMP9KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL6712429 0.88 LMNA (0.40) MMP9KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL7421577 0.86 MMP9 (0.37) MMP9KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL7320647 0.85 THRB (0.39) MMP9KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL7319356 0.85 CA1 (0.37) MMP9KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL6714601 0.84 ALDH1A1 (0.45) KMT2AALDH1A1SMN1; SMN2MEN1RAB9A
SCHEMBL6708265 0.84 ALDH1A1 (0.44) KMT2AALDH1A1SMN1; SMN2MEN1RAB9A

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-6583139-B1 Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-06-24 US claimed