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SCHEMBL9527042

SCHEMBL9527042

C=C(Br)C(=O)Nc1c[nH]c(C(=O)N(C)c2c[nH]c(C(=O)N(C)c3c[nH]c(C(=O)N(C)c4c[nH]c(C(=O)N(C)c5c[nH]c(C(=O)N(C)CCC(=N)N)c5)c4)c3)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 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
SCHEMBL9528160 1.00 DAO (0.37) DAO
SCHEMBL9527804 0.90 DAO (0.35) DAO
SCHEMBL10693599 0.83 DAO (0.36) DAO
SCHEMBL10690297 0.83 DAO (0.37) DAO
SCHEMBL10693093 0.83 DAO (0.35) DAO
SCHEMBL10690621 0.83 DAO (0.35) DAO
Hydrochloric Acid SCHEMBL10693303 0.83 DAO (0.35) DAO
SCHEMBL10688875 0.82 DAO (0.35) DAO
Hydrochloric Acid SCHEMBL10693725 0.82 DAO (0.35) DAO
Hydrochloric Acid SCHEMBL10693182 0.82 DAO (0.35) DAO

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-0388948-B1 Acryloyl substituted pyrrole derivatives ERBA CARLO SPA (IT) 1993-12-15 — — EP claimed
EP-0388948-B1 Acryloyl substituted pyrrole derivatives ERBA CARLO SPA (IT) 1993-12-15 — — EP disclosed
US-5175182-A ACRYLOYL SUBSTITUTED PYRROLE DERIVATIVES FARMITALIA CARLO ERBA SRL (IT) 1992-12-29 — — US disclosed
EP-0416075-A1 ACRYLOYL SUBSTITUTED PYRROLE DERIVATIVES FARMITALIA CARLO ERBA S.r.l. (IT) 1991-03-13 — — EP disclosed
WO-1990011277-A1 ACRYLOYL SUBSTITUTED PYRROLE DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1990-10-04 — — WO disclosed