SCHEMBL19905987

SCHEMBL19905987

Cc1cc2nc(-c3cncc(-c4ccc5c(cnn5C)c4)n3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
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
RORC P51449 1/20 0.33
CCNC P24863 3/20 0.32
CDK8 P49336 3/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
KMO O15229 1/20 0.30
POLQ O75417 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
AR P10275 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL19906143 0.90 PTGDR2 (0.33) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906374 0.90 POLQ (0.33) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906150 0.89 RORC (0.33) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19905864 0.89 PTGDR2 (0.35) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906391 0.87 KDM4E (0.33) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906133 0.84 KMO (0.39) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906017 0.84 KDM4E (0.32) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906214 0.82 KMO (0.35) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906028 0.81 KDM4E (0.34) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906180 0.81 PTGDR2 (0.41) 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