SCHEMBL12448930

SCHEMBL12448930

Nc1ccc(Oc2ccc(-c3c(N)ccccc4nc(c(-c5ccc(Oc6ccc(N)cc6)cc5)c5ccc(cc6nc3C=C6)[nH]5)C=C4)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.56
▸ STAT1 P42224 1/20 0.56
▸ TOP1 P11387 2/20 0.43
▸ CHEK2 O96017 3/20 0.40
▸ HPSE Q9Y251 1/20 0.38
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ XDH P47989 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL1863470 0.91 STAT3 (0.59) STAT3STAT1TOP1CHEK2HPSE
SCHEMBL3995625 0.84 STAT3 (0.78) STAT3STAT1TOP1MEN1KMT2A
SCHEMBL7257328 0.82 STAT3 (0.56) STAT3STAT1TOP1MEN1KMT2A
SCHEMBL10100940 0.82 STAT3 (0.64) STAT3STAT1TOP1MEN1KMT2A
SCHEMBL7258061 0.82 STAT3 (0.64) STAT3STAT1TOP1MEN1KMT2A
SCHEMBL30372046 0.82 STAT3 (0.64) STAT3STAT1TOP1MEN1KMT2A
SCHEMBL27992764 0.81 STAT3 (0.63) STAT3STAT1TOP1MEN1KMT2A
SCHEMBL29823978 0.81 STAT3 (0.62) STAT3STAT1TOP1MEN1KMT2A
Aniline SCHEMBL28730723 0.80 STAT3 (0.78) STAT3STAT1TOP1NPC1ALDH1A1
SCHEMBL14818489 0.78 STAT3 (0.56) STAT3STAT1TOP1MEN1KMT2A

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
EP-1558616-B2 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2011-08-24 — — EP disclosed
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