SCHEMBL6016450

SCHEMBL6016450

CN(C)Cc1ncc(C(=O)O)c(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
LDHA P00338 1/20 0.42
THRB P10828 2/20 0.41
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
NR4A2 P43354 1/20 0.39
CNR1 P21554 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38

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
SCHEMBL6016363 0.82 LMNA (0.46) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL6016399 0.81 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL6016364 0.79 ALDH1A1 (0.47) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL27488851 0.78 LMNA (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL6016349 0.78 NTRK1 (0.45) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL3442522 0.78 HPGD (0.59) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL6016487 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL6016470 0.77 NTRK1 (0.42) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL3443236 0.77 CASR (0.55) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL400143 0.75 NTRK1 (0.60) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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 6 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
CN-1166643-C 4-phenyl-pyrimidine derivatives - 2004-09-15 CN disclosed
CN-1353697-A 4-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2002-06-12 CN 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