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SCHEMBL19905910

SCHEMBL19905910

Cc1cc2nc(-c3nc(-c4ccc5c(cnn5C)c4)ccc3N)sc2c(-c2ccc(Cl)cc2)c1[C@@H](CC(=O)O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.31
▸ SLC16A3 O15427 1/20 0.31
▸ SLC16A1 P53985 1/20 0.31
▸ LGMN Q99538 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ LIPG Q9Y5X9 1/20 0.30
▸ KEAP1 Q14145 2/20 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
SCHEMBL15332449 0.90 CYP3A4 (0.39) RORCSLC16A3SLC16A1LGMNCYP3A4
SCHEMBL15342111 0.89 CYP3A4 (0.33) CYP3A4
SCHEMBL19905907 0.83 PTGDR2 (0.35) RORC
SCHEMBL15333102 0.81 RORC (0.34) RORCSLC16A3SLC16A1LIPG
SCHEMBL15333099 0.81 RORC (0.34) RORCSLC16A3SLC16A1LIPG
SCHEMBL15333257 0.80 CYP3A4 (0.40) RORCSLC16A3SLC16A1CYP3A4LIPG
SCHEMBL15333226 0.80 CYP3A4 (0.40) RORCSLC16A3SLC16A1CYP3A4LIPG
SCHEMBL15333435 0.80 LIPG (0.32) RORCSLC16A3SLC16A1CYP3A4LIPG
SCHEMBL15333429 0.80 LIPG (0.32) RORCSLC16A3SLC16A1CYP3A4LIPG
SCHEMBL15333432 0.80 LIPG (0.32) RORCSLC16A3SLC16A1CYP3A4LIPG

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