SCHEMBL19906413

SCHEMBL19906413

Cc1cc2nc(-c3ccc4c(c3)OCCO4)sc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
LMNA P02545 4/20 0.43
TP53 P04637 4/20 0.41
KDM4E B2RXH2 7/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER3 P43115 3/20 0.40
ATM Q13315 2/20 0.39
APEX1 P27695 1/20 0.39
PPARG P37231 1/20 0.39
BLM P54132 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL19906412 0.86 TP53 (0.38) MAPTLMNATP53KDM4EPTGDR2
SCHEMBL19906092 0.82 PTGDR2 (0.48) MAPTKDM4EPTGDR2ALDH1A1MEN1
SCHEMBL19906111 0.82 PTGER3 (0.38) MAPTLMNAKDM4EPTGDR2ALDH1A1
SCHEMBL19906022 0.82 PTGER3 (0.37) MAPTLMNAKDM4EPTGDR2ALDH1A1
SCHEMBL19905990 0.81 GRM5 (0.39) KDM4EPTGDR2ALDH1A1MEN1KMT2A
SCHEMBL19017855 0.81 PTGDR2 (0.52) MAPTLMNAKDM4EPTGDR2ALDH1A1
SCHEMBL19906136 0.80 GRM5 (0.36) KDM4EPTGDR2ALDH1A1MEN1KMT2A
SCHEMBL19905979 0.79 KDM4E (0.33) MAPTLMNAKDM4EPTGDR2ALDH1A1
SCHEMBL19905893 0.79 PTGDR2 (0.41) MAPTKDM4EPTGDR2ALDH1A1MEN1
SCHEMBL19905949 0.79 PTGDR2 (0.43) 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