SCHEMBL19906049

SCHEMBL19906049

Cc1cc2nc(-c3ccc(-c4cnc(=O)[nH]c4)cc3)sc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EIF4E P06730 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 2/20 0.35
HSD11B1 P28845 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL19906046 0.87 EIF4E (0.38) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906139 0.84 PTGDR2 (0.43) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906092 0.83 PTGDR2 (0.48) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906105 0.81 PTGDR2 (0.42) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906247 0.81 ABL1 (0.40) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906088 0.80 KDM4E (0.42) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL15342570 0.80 CYP3A4 (0.40) KDM4EEIF4ERAB9AHSD11B1NPC1
SCHEMBL19906210 0.79 PTGDR2 (0.42) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906240 0.79 PTGDR2 (0.38) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19906327 0.79 PTGDR2 (0.38) PTGDR2KDM4EALDH1A1MEN1KMT2A

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