SCHEMBL19906044

SCHEMBL19906044

Cc1cc2nc(-c3ccnc(-c4cccc(C(N)=O)c4)c3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 4/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAP4K4 O95819 1/20 0.34
SHMT2 P34897 2/20 0.34
MAP3K8 P41279 1/20 0.34
PTGER1 P34995 3/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
PSD A5PKW4 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSA P10619 1/20 0.33
CFD P00746 1/20 0.33
FFAR1 O14842 1/20 0.33
NR1H4 Q96RI1 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
SCHEMBL19906059 0.92 KDM4E (0.33) SHMT1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906036 0.89 PTGDR2 (0.40) SHMT1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906369 0.89 KDM4E (0.38) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906328 0.88 PTGER1 (0.34) SHMT1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19905802 0.87 MAP4K4 (0.43) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906229 0.86 EIF4E (0.36) SHMT1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906268 0.85 EIF4E (0.38) SHMT1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906322 0.85 CNR1 (0.38) SHMT1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906291 0.85 PTGDR2 (0.33) SHMT1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906239 0.85 PTGDR2 (0.35) SHMT1KDM4EMEN1ALDH1A1KMT2A

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