SCHEMBL6016478

SCHEMBL6016478

O=C(O)c1cnc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.69
KMT2A Q03164 12/20 0.69
LMNA P02545 4/20 0.68
ALDH1A1 P00352 4/20 0.68
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPK1 P28482 1/20 0.64
ATM Q13315 1/20 0.64
HPGD P15428 3/20 0.60
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CRHBP P24387 2/20 0.54
CRHR2 Q13324 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
GAA P10253 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL6016420 0.92 MEN1 (0.61) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8946845 0.91 LMNA (0.70) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6016650 0.88 MEN1 (0.56) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6016346 0.88 KMT2A (0.56) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL11738224 0.86 MEN1 (0.70) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL10376724 0.86 KMT2A (0.54) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8946347 0.85 MEN1 (0.64) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL976971 0.83 MEN1 (0.74) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8946904 0.83 MEN1 (0.51) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8946509 0.83 L3MBTL1 (0.60) MEN1KMT2ALMNAALDH1A1MAPT

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 8 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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 WO disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
EP-0638557-A1 N-phenylpyri(mi)dine-N'-phenyl-urea derivatives, their preparation and their use as ACAT inhibitors NIHON NOHYAKU CO., LTD. (JP) 1995-02-15 EP disclosed