SCHEMBL6016328

SCHEMBL6016328

CSc1ncc(C(=O)O)c(-c2ccccc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 3/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
NTRK1 P04629 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL6016381 0.85 RXFP1 (0.56) RXFP1THRBPOLBMAPTNTRK1
SCHEMBL6016535 0.84 RXFP1 (0.50) RXFP1KMT2AMEN1THRBPOLB
SCHEMBL6016488 0.84 RXFP1 (0.48) RXFP1KMT2AMEN1THRBPOLB
SCHEMBL6016353 0.83 THRB (0.49) RXFP1KMT2AMEN1THRBPOLB
SCHEMBL6016440 0.82 RXFP1 (0.49) RXFP1KMT2AMEN1THRBPOLB
SCHEMBL1016143 0.82 KMT2A (0.58) KMT2AMEN1MAPTNTRK1HPGD
SCHEMBL6016587 0.82 MAPT (0.50) RXFP1THRBPOLBMAPTNTRK1
SCHEMBL5189312 0.81 CNR1 (0.48) KMT2AMEN1POLBKDM4EHPGD
SCHEMBL6016541 0.81 THRB (0.66) RXFP1KMT2AMEN1THRBPOLB
SCHEMBL7991781 0.81 EPAS1 (0.43) RXFP1THRBPOLBLMNA

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