SCHEMBL2125691

SCHEMBL2125691

O=C(CBr)Nc1cccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.53
▸ TOP1 P11387 3/20 0.48
▸ CYCS P99999 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MMP2 P08253 3/20 0.43
▸ MMP9 P14780 3/20 0.43
▸ MMP8 P22894 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL16912677 0.90 TOP1 (0.54) JAK3TOP1CYCSKDM4EALDH1A1
SCHEMBL8865129 0.81 KMT2A (0.55) TOP1CYCSKDM4EALDH1A1HPGD
SCHEMBL8184067 0.78 STAT3 (0.47) JAK3TOP1KDM4EALDH1A1MMP2
SCHEMBL8184071 0.78 STAT3 (0.47) JAK3KDM4EALDH1A1MMP2MMP9
SCHEMBL16923748 0.78 ALDH1A1 (0.55) TOP1CYCSKDM4EALDH1A1HPGD
SCHEMBL8572426 0.77 TOP1 (0.53) TOP1CYCSMEN1MAPTKMT2A
SCHEMBL18917438 0.75 TOP1 (0.69) TOP1CYCSKDM4EALDH1A1HPGD
SCHEMBL31121522 0.75 TOP1 (0.62) TOP1CYCSSTAT3STAT1
SCHEMBL31121523 0.75 TOP1 (0.62) TOP1CYCSSTAT3STAT1
SCHEMBL16920374 0.75 SMN1; SMN2 (0.54) TOP1CYCSKDM4EALDH1A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1416970-B1 CONJUGATE PHOTOBIOTICS LTD (GB) 2012-04-25 — — EP disclosed
US-7655753-B2 Conjugate PHOTOBIOTICS LIMITED (GB) 2010-02-02 — — US disclosed
US-20050234222-A1 Conjugate PHOTOBIOTICS LIMITED (GB) 2005-10-20 — — US disclosed
EP-1416970-A2 CONJUGATE Photobiotics Ltd. (GB) 2004-05-12 — — EP disclosed
WO-2003015825-A2 CONJUGATE PHOTOBIOTICS LTD (GB) 2003-02-27 — — WO disclosed
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