SCHEMBL19906374

SCHEMBL19906374

Cc1cc2nc(-c3cc(-c4ccc5c(cnn5C)c4)ccn3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.33
PTGDR2 Q9Y5Y4 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
RORC P51449 1/20 0.32
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
PTGS1 P23219 1/20 0.31
CYP2C19 P33261 1/20 0.31
NOTUM Q6P988 1/20 0.31
USP7 Q93009 1/20 0.30
KMO O15229 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
SCHEMBL19906150 0.91 RORC (0.33) POLQPTGDR2KDM4EMEN1ALDH1A1
SCHEMBL19906017 0.91 KDM4E (0.32) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19905987 0.90 PTGDR2 (0.33) POLQPTGDR2KDM4EMEN1ALDH1A1
SCHEMBL19906391 0.90 KDM4E (0.33) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906378 0.89 PTGDR2 (0.35) POLQPTGDR2KDM4EMEN1ALDH1A1
SCHEMBL19906214 0.88 KMO (0.35) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906320 0.88 KDM4E (0.31) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906143 0.88 PTGDR2 (0.33) POLQPTGDR2KDM4EMEN1ALDH1A1
SCHEMBL19906069 0.88 EGFR (0.35) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906145 0.85 KEAP1 (0.34) PTGDR2KDM4EMEN1ALDH1A1KMT2A

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