SCHEMBL19906214

SCHEMBL19906214

CCCn1ncc2cc(-c3cc(-c4nc5cc(C)c(CC(=O)O)c(-c6ccc(Cl)cc6OC(C)(C)C)c5s4)ccn3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H2 P55055 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
NR1H3 Q13133 1/20 0.32
MAP4K1 Q92918 1/20 0.31
MCHR1 Q99705 1/20 0.30
RAD51 Q06609 1/20 0.30

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
SCHEMBL19906133 0.94 KMO (0.39) KMOPTGDR2KDM4EMEN1ALDH1A1
SCHEMBL19906217 0.89 KMO (0.38) KMOPTGDR2KDM4EMEN1ALDH1A1
SCHEMBL19906374 0.88 POLQ (0.33) KMOPTGDR2KDM4EMEN1ALDH1A1
SCHEMBL19906017 0.86 KDM4E (0.32) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906145 0.86 KEAP1 (0.34) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906288 0.85 CSF1R (0.35) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906150 0.85 RORC (0.33) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906280 0.85 KDM4E (0.34) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906283 0.85 KDM4E (0.33) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906320 0.84 KDM4E (0.31) PTGDR2KDM4EMEN1ALDH1A1KMT2A

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