SCHEMBL19906064

SCHEMBL19906064

COc1ncc(-c2cccc(-c3nc4cc(C)c(CC(=O)O)c(-c5ccc(Cl)cc5)c4s3)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
PTGDR2 Q9Y5Y4 9/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSA P10619 2/20 0.36
EIF4E P06730 1/20 0.35
PPARD Q03181 3/20 0.35
FTO Q9C0B1 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.35

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
SCHEMBL19906139 0.94 PTGDR2 (0.43) KDM4EPTGDR2ALDH1A1CYP1A2CYP2C9
SCHEMBL19906088 0.90 KDM4E (0.42) KDM4EPTGDR2ALDH1A1CYP1A2CYP2C9
SCHEMBL19906236 0.88 PTGDR2 (0.38) KDM4EPTGDR2ALDH1A1CYP1A2CYP2C9
SCHEMBL19906097 0.88 KDM4E (0.41) KDM4EPTGDR2ALDH1A1CYP1A2CYP2C9
SCHEMBL19906060 0.87 KDM4E (0.38) KDM4EPTGDR2ALDH1A1MEN1KMT2A
SCHEMBL19906325 0.87 CNR1 (0.44) KDM4EPTGDR2ALDH1A1CYP1A2CYP2C9
SCHEMBL19905876 0.86 PTGDR2 (0.42) KDM4EPTGDR2ALDH1A1CYP1A2CYP2C9
SCHEMBL19905797 0.84 EIF4E (0.39) KDM4EPTGDR2ALDH1A1CYP1A2CYP2C9
SCHEMBL19906090 0.83 MEN1 (0.39) KDM4EPTGDR2ALDH1A1CYP1A2CYP2C9
SCHEMBL19905882 0.83 KDM4E (0.41) KDM4EPTGDR2ALDH1A1CYP1A2CYP2C9

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