SCHEMBL19906391

SCHEMBL19906391

Cc1cc2nc(-c3cc4cnn(C)c4cn3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARD Q03181 2/20 0.31
KMO O15229 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
NOTUM Q6P988 1/20 0.30
MAPK1 P28482 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
SCHEMBL19906017 0.93 KDM4E (0.32) KDM4ELMNASMN1; SMN2PPARDPPARG
SCHEMBL19906374 0.90 POLQ (0.33) KDM4EKMOMEN1ALDH1A1KMT2A
SCHEMBL19905987 0.87 PTGDR2 (0.33) KDM4ELMNASMN1; SMN2KMOMEN1
SCHEMBL19906150 0.86 RORC (0.33) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906010 0.86 KDM4E (0.36) KDM4ESMN1; SMN2KMOMEN1ALDH1A1
SCHEMBL19906143 0.85 PTGDR2 (0.33) KDM4ELMNASMN1; SMN2KMOMEN1
SCHEMBL19906129 0.85 EGFR (0.33) KDM4ELMNASMN1; SMN2PPARDPTGDR2
SCHEMBL19906320 0.84 KDM4E (0.31) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19905988 0.83 KDM4E (0.35) KDM4ELMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL19906069 0.83 EGFR (0.35) KDM4ELMNASMN1; SMN2MEN1ALDH1A1

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