SCHEMBL6016416

SCHEMBL6016416

CS(=O)(=O)c1ncc(C(=O)O)c(-c2ccccc2Br)n1.O=C(OO)c1cccc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
USP2 O75604 2/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
PDE4B Q07343 4/20 0.35
RAB9A P51151 2/20 0.35
TLR9 Q9NR96 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 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
SCHEMBL6016677 0.91 L3MBTL1 (0.41) MAPTUSP2TP53KMT2AMEN1
SCHEMBL6016449 0.90 GPBAR1 (0.38) MAPTUSP2TP53KMT2AMEN1
SCHEMBL6016523 0.90 DHODH (0.39) MAPTUSP2TP53KMT2AMEN1
SCHEMBL6016493 0.89 EGFR (0.40) MAPTUSP2TP53KMT2AMEN1
SCHEMBL6016644 0.89 SERPINE1 (0.39) MAPTUSP2TP53KMT2AMEN1
SCHEMBL6016578 0.85 TP53 (0.38) MAPTUSP2TP53KMT2AMEN1
SCHEMBL6016454 0.85 TP53 (0.36) MAPTUSP2TP53KMT2AMEN1
SCHEMBL6016396 0.84 PDE4B (0.38) MAPTUSP2TP53KMT2AMEN1
SCHEMBL6016525 0.83 KMT2A (0.38) MAPTTP53KMT2AMEN1NPC1
SCHEMBL6875869 0.80 TDP1 (0.47) MAPTUSP2TP53KMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP disclosed
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP disclosed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 US disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 WO disclosed