Sugi Predict

Sugi Predict / Compounds / SCHEMBL19906185

SCHEMBL19906185

SCHEMBL19906185

Cc1cnc2n(C)cc(-c3cc(-c4nc5cc(C)c(C(OC(C)(C)C)C(=O)O)c(-c6ccc(Cl)cc6)c5s4)ccn3)cc1-2

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.36
▸ PSIP1 O75475 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
SCHEMBL15342597 1.00 CYP3A4 (0.36) CYP3A4PSIP1
SCHEMBL15342190 0.94 CYP3A4 (0.30) CYP3A4
SCHEMBL15341120 0.87 CYP3A4 (0.38) CYP3A4PSIP1
SCHEMBL15334249 0.86 CYP3A4 (0.36) CYP3A4PSIP1
SCHEMBL15333980 0.86 CYP3A4 (0.36) CYP3A4PSIP1
SCHEMBL19906063 0.86 CYP3A4 (0.39) CYP3A4PSIP1
SCHEMBL15341098 0.86 CYP3A4 (0.39) CYP3A4PSIP1
SCHEMBL15342616 0.85 CYP3A4 (0.36) CYP3A4PSIP1
SCHEMBL15342619 0.85 CYP3A4 (0.37) CYP3A4PSIP1
SCHEMBL15342589 0.85 CYP3A4 (0.37) CYP3A4PSIP1

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-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 — — EP disclosed