SCHEMBL19906068

SCHEMBL19906068

Cc1cc2nc(-c3cccc(-c4cnn(Cc5ccccc5)c4)c3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
KLKB1 P03952 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLQ O75417 1/20 0.34
CREBBP Q92793 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 1/20 0.34
SHMT1 P34896 1/20 0.34
BCL2L1 Q07817 1/20 0.33

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
SCHEMBL19906018 0.91 KDM4E (0.35) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19905880 0.90 KDM4E (0.38) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19905850 0.88 KDM4E (0.36) KDM4EPIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL19905831 0.87 PIK3CD (0.42) KDM4EPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL19906086 0.85 KDM4E (0.39) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906060 0.83 KDM4E (0.38) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906314 0.83 KDM4E (0.40) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906157 0.83 KDM4E (0.38) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19905988 0.82 KDM4E (0.35) KDM4EPTGDR2MEN1ALDH1A1KMT2A
SCHEMBL19906322 0.81 CNR1 (0.38) KDM4EPTGDR2MEN1ALDH1A1KMT2A

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