SCHEMBL8184067

SCHEMBL8184067

O=C(CCBr)Nc1cccc(-c2c3nc(c(-c4cccc(NC(=O)CCBr)c4)c4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ KDM4E B2RXH2 7/20 0.41
▸ MMP2 P08253 6/20 0.41
▸ MMP9 P14780 6/20 0.41
▸ MMP8 P22894 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MMP13 P45452 3/20 0.40
▸ MMP3 P08254 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ POLB P06746 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 2/20 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
SCHEMBL8184071 0.94 STAT3 (0.47) STAT3STAT1KDM4EMMP2MMP9
SCHEMBL2125691 0.78 JAK3 (0.53) STAT3STAT1KDM4EMMP2MMP9
SCHEMBL226835 0.73 STAT3 (0.83) STAT3STAT1TOP1
SCHEMBL29585686 0.73 STAT3 (0.83) STAT3STAT1TOP1
SCHEMBL8865129 0.73 KMT2A (0.55) STAT1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3107248 0.72 STAT3 (0.64) STAT3STAT1MAPTGAAAURKA
SCHEMBL584789 0.71 STAT3 (0.67) STAT3STAT1MAPTGAAAURKA
SCHEMBL455573 0.71 STAT3 (0.67) STAT3STAT1KDM4EALDH1A1HPGD
SCHEMBL8186744 0.70 STAT3 (0.55) STAT3STAT1MMP2MMP9MMP8
SCHEMBL585272 0.70 STAT3 (0.55) STAT3STAT1HDAC1AURKB

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-6087493-A ENZYME IHIBITORS REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-07-11 — — US claimed
Send feedback