SCHEMBL6016482

SCHEMBL6016482

CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CSc1ncc(C(=O)O)c(-c2ccc(F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 8/20 0.55
MAPT P10636 2/20 0.47
THRB P10828 3/20 0.47
TACR1 P25103 3/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
POLB P06746 1/20 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
SCHEMBL6016360 0.89 RXFP1 (0.44) RXFP1MAPTTHRBTACR1LMNA
SCHEMBL6016509 0.87 RXFP1 (0.42) RXFP1MAPTTHRBTACR1LMNA
SCHEMBL6016647 0.85 RXFP1 (0.44) RXFP1MAPTTHRBTACR1LMNA
SCHEMBL6016692 0.84 TACR1 (0.46) RXFP1MAPTTHRBTACR1
SCHEMBL7991077 0.83 RXFP1 (0.42) RXFP1MAPTTHRBTACR1TP53
SCHEMBL7991781 0.83 EPAS1 (0.43) RXFP1THRBTACR1LMNAJUN
SCHEMBL6016386 0.82 RXFP1 (0.45) RXFP1MAPTTHRBTACR1LMNA
SCHEMBL6016291 0.81 RXFP1 (0.62) RXFP1MAPTTHRBTP53POLB
SCHEMBL6016484 0.78 RXFP1 (0.46) RXFP1MAPTTHRBTACR1LMNA
SCHEMBL6016504 0.78 TACR1 (0.48) TACR1JUNNFKB1NFKB2RELA

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