SCHEMBL2854531

SCHEMBL2854531

COc1ccc(-n2ncc(OC(=O)NCc3ccc(Cl)cc3)c2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
RXFP1 Q9HBX9 2/20 0.52
ABCB1 P08183 1/20 0.52
CCR1 P32246 4/20 0.51
MAPT P10636 4/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
NR3C1 P04150 1/20 0.44
VNN1 O95497 1/20 0.44
NPBWR1 P48145 1/20 0.44
SMO Q99835 1/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL2861643 0.90 CNR1 (0.50) LMNARXFP1ABCB1TP53SMN1; SMN2
SCHEMBL2854802 0.90 LMNA (0.48) LMNACCR1MAPTTP53ALDH1A1
SCHEMBL2860234 0.89 HPGD (0.54) RXFP1MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL2857180 0.88 NPSR1 (0.53) RXFP1CCR1MAPTTP53POLB
SCHEMBL2852334 0.88 HPGD (0.55) LMNACCR1MAPTTP53SMN1; SMN2
SCHEMBL2848661 0.86 ABCB1 (0.48) LMNARXFP1ABCB1CCR1MAPT
SCHEMBL2852384 0.84 NPC1 (0.54) LMNAMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL2852238 0.84 GAA (0.55) TP53SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2853335 0.84 TP53 (0.48) MAPTTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL2852082 0.83 CCR1 (0.72) LMNARXFP1ABCB1CCR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed