SCHEMBL7150673

SCHEMBL7150673

N=C(N)c1ccc2cc(Oc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)O)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 5/20 0.70
▸ CASP3 P42574 5/20 0.54
▸ SENP7 Q9BQF6 5/20 0.54
▸ SENP8 Q96LD8 2/20 0.54
▸ SENP6 Q9GZR1 2/20 0.54
▸ RAB9A P51151 13/20 0.52
▸ NPC1 O15118 12/20 0.52
▸ SMN1; SMN2 Q16637 7/20 0.52
▸ MAPT P10636 4/20 0.52
▸ PKM P14618 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ TP53 P04637 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ F2 P00734 2/20 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
Trifluoroacetic Acid SCHEMBL6296021 0.95 PLAU (0.63) PLAUCASP3SENP7SENP8SENP6
SCHEMBL7336298 0.83 PLAU (1.00) PLAUCASP3SENP7SENP8SENP6
Trifluoroacetic Acid SCHEMBL6296020 0.81 PLAU (0.45) PLAUF2PLGKLKB1PRSS1
SCHEMBL8506821 0.75 F10 (0.52) PLAUF2PLGKLKB1PRSS1
SCHEMBL178984 0.73 CASP3 (0.85) CASP3SENP7SENP8SENP6RAB9A
SCHEMBL108116 0.71 NPC1 (1.00) CASP3SENP7SENP8SENP6RAB9A
SCHEMBL13561178 0.71 NPC1 (0.76) PLAUCASP3SENP7SENP8SENP6
SCHEMBL7128825 0.71 PYGM (0.66) CASP3SENP7SENP8SENP6RAB9A
SCHEMBL4727186 0.70 RAB9A (0.81) CASP3SENP7SENP8SENP6RAB9A
Trifluoroacetic Acid SCHEMBL6300672 0.70 F10 (0.48) F2

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
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 — — EP disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 — — EP disclosed
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