SCHEMBL5961340

SCHEMBL5961340

CN(C)c1[c]cnc(Cc2ccc(NC(=O)OCc3ccc(F)cc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
AKT3 Q9Y243 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40
MGLL Q99685 1/20 0.40
NAMPT P43490 1/20 0.38
POLB P06746 1/20 0.38
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL27873444 0.91 POLB (0.49) SMN1; SMN2MGLLPOLBTP53MAPT
SCHEMBL5961346 0.86 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1LMNAMAPT
SCHEMBL1010059 0.78 MEN1 (0.47) MEN1KMT2ASMN1; SMN2L3MBTL1AKT3
SCHEMBL1011783 0.77 KMT2A (0.47) MEN1KMT2ASMN1; SMN2L3MBTL1AKT3
SCHEMBL1010810 0.77 MEN1 (0.47) MEN1KMT2ASMN1; SMN2L3MBTL1AKT3
SCHEMBL1010809 0.75 MEN1 (0.48) MEN1KMT2ASMN1; SMN2L3MBTL1AKT3
SCHEMBL31043557 0.73 SMN1; SMN2 (0.59) MEN1KMT2ASMN1; SMN2L3MBTL1AKT3
SCHEMBL15746542 0.70 PTGDR2 (0.45) MEN1KMT2ASMN1; SMN2L3MBTL1NAMPT
SCHEMBL1008677 0.69 PTGDR2 (0.47) POLBTP53MAPT
SCHEMBL4678478 0.69 MGLL (0.71) MEN1KMT2ASMN1; SMN2L3MBTL1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006524645-A 2006-11-02 JP claimed
EP-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP claimed
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO claimed
EP-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP disclosed
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO disclosed