SCHEMBL22695577

SCHEMBL22695577

Cc1c(Br)cnc(Cl)c1NO

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16913924 0.82 PIK3C3 (0.39) ALDH1A1
SCHEMBL30481961 0.79 PTK2 (0.40) ALDH1A1
SCHEMBL25323093 0.79 PTK2 (0.40) ALDH1A1
Water SCHEMBL25321793 0.75 PTK2 (0.37) ALDH1A1
SCHEMBL20704188 0.74 CHRNB2 (0.32) ALDH1A1
SCHEMBL31229804 0.73 CHRNB2 (0.31) ALDH1A1
SCHEMBL25324652 0.72 PIK3C3 (0.35) ALDH1A1
SCHEMBL16926689 0.72 PIK3C3 (0.49) ALDH1A1
SCHEMBL20203264 0.69 — —
SCHEMBL16913805 0.69 PIK3C3 (0.35) —

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
WO-2020237025-A1 SUBSTITUTED EXO-METHYLENE-OXINDOLES WHICH ARE HPK1/MAP4K1 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-11-26 — — WO disclosed
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