SCHEMBL19906010

SCHEMBL19906010

Cc1cc2nc(-c3cc4cnn(C)c4cn3)sc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
PTGDR2 Q9Y5Y4 8/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE5A O76074 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE3A Q14432 1/20 0.34
POLQ O75417 1/20 0.34
KMO O15229 2/20 0.33
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19906023 0.93 PTGDR2 (0.35) KDM4EPTGDR2ALDH1A1MEN1KMT2A
SCHEMBL19906180 0.90 PTGDR2 (0.41) KDM4EPTGDR2ALDH1A1MEN1KMT2A
SCHEMBL17547145 0.90 PTGDR2 (0.35) KDM4EPTGDR2ALDH1A1MEN1KMT2A
SCHEMBL19906378 0.90 PTGDR2 (0.35) KDM4EPTGDR2ALDH1A1MEN1KMT2A
SCHEMBL19905978 0.89 PTGDR2 (0.40) KDM4EPTGDR2ALDH1A1MEN1KMT2A
SCHEMBL17547120 0.87 KDM4E (0.37) KDM4EPTGDR2ALDH1A1MEN1KMT2A
SCHEMBL19905864 0.87 PTGDR2 (0.35) KDM4EPTGDR2ALDH1A1MEN1KMT2A
SCHEMBL19905859 0.86 PTGDR2 (0.37) KDM4EPTGDR2ALDH1A1MEN1KMT2A
SCHEMBL19906391 0.86 KDM4E (0.33) KDM4EPTGDR2ALDH1A1MEN1KMT2A
SCHEMBL19905803 0.86 KDM4E (0.39) KDM4EPTGDR2ALDH1A1MEN1KMT2A

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