SCHEMBL7330584

SCHEMBL7330584

COc1cc(C(=N)N)ccc1OC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ F2 P00734 3/20 0.51
▸ F10 P00742 3/20 0.51
▸ PRSS1 P07477 3/20 0.51
▸ F7 P08709 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MRGPRX1 Q96LB2 2/20 0.51
▸ PLAU P00749 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ NR1H4 Q96RI1 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7324617 0.96 ALDH1A1 (0.49) ALDH1A1F2F10PRSS1F7
SCHEMBL7345716 0.83 PLAU (0.53) ALDH1A1F2F10PRSS1MAPT
SCHEMBL7324570 0.81 MAPT (0.61) PRSS1CYP3A4MAPTMEN1KMT2A
SCHEMBL7339820 0.81 FTO (0.56) ALDH1A1F2F10PRSS1MAPT
SCHEMBL4766309 0.79 SMN1; SMN2 (0.62) CYP3A4MAPTPLAULMNAHDAC3
SCHEMBL102375 0.79 ALDH1A1 (0.54) ALDH1A1MAPTTP53PLAULMNA
SCHEMBL7332318 0.78 MAPT (0.58) PRSS1CYP3A4MAPTPLAUMEN1
SCHEMBL7324273 0.77 MAPT (0.58) F10PRSS1CYP3A4MAPTPLAU
SCHEMBL6376622 0.76 NPC1 (0.52) ALDH1A1CYP3A4MAPTTP53PLAU
SCHEMBL7339823 0.76 PLAU (0.52) F2F10PLAUHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4570006-A ANTITHROMBIN; ENZYME AND HORMONE INHIBITORS TORII & CO. LTD. (JP) 1986-02-11 — — US disclosed
US-4514416-A Amidine compound, process for producing same and anti-complement agent comprising same TORII & CO. LTD. (JP) 1985-04-30 — — US disclosed
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