SCHEMBL19906253

SCHEMBL19906253

Cc1cc2nc(-c3ccc4c(c3)c(C)nn4Cc3ccccc3)sc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.46
KDM4E B2RXH2 1/20 0.43
AKR1B1 P15121 1/20 0.41
SLC22A12 Q96S37 4/20 0.41

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
SCHEMBL19905960 0.87 KDM4E (0.42) PTGDR2KDM4EAKR1B1
SCHEMBL15331864 0.83 CYP3A4 (0.40) PTGDR2AKR1B1
SCHEMBL15333590 0.83 CYP3A4 (0.40) PTGDR2AKR1B1
SCHEMBL19906186 0.82 KDM4E (0.42) PTGDR2KDM4ESLC22A12
SCHEMBL15342118 0.82 SLC16A3 (0.35) PTGDR2KDM4EAKR1B1SLC22A12
SCHEMBL19906076 0.81 KDM4E (0.37) PTGDR2KDM4EAKR1B1
SCHEMBL15342532 0.81 F2RL3 (0.36) PTGDR2KDM4EAKR1B1
SCHEMBL19905855 0.81 KDM4E (0.39) PTGDR2KDM4EAKR1B1
SCHEMBL19906165 0.80 KDM4E (0.40) PTGDR2KDM4EAKR1B1
SCHEMBL19905953 0.79 KDM4E (0.42) PTGDR2KDM4EAKR1B1

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