SCHEMBL27650204

SCHEMBL27650204

O=C(O)c1cccc(COCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.65
MRGPRX4 Q96LA9 13/20 0.64
ALDH1A1 P00352 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TP53 P04637 3/20 0.60
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
RAB9A P51151 2/20 0.60
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.60
MITF O75030 1/20 0.60
HPGD P15428 1/20 0.60
XBP1 P17861 1/20 0.60
KMT2A Q03164 1/20 0.60
FOLH1 Q04609 1/20 0.59
PKM P14618 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58

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
SCHEMBL6000790 0.96 MRGPRX4 (0.68) NR4A2MRGPRX4ALDH1A1NPSR1TP53
SCHEMBL19301712 0.89 MRGPRX4 (0.58) NR4A2MRGPRX4ALDH1A1NPSR1TP53
SCHEMBL14505829 0.87 KMT2A (0.61) NR4A2MRGPRX4ALDH1A1NPSR1TP53
SCHEMBL27653356 0.86 NR4A2 (0.58) NR4A2MRGPRX4ALDH1A1NPSR1TP53
SCHEMBL3315985 0.86 MRGPRX4 (0.68) MRGPRX4ALDH1A1NPSR1TP53NFKB1
SCHEMBL10653127 0.86 ALDH1A1 (0.62) NR4A2MRGPRX4ALDH1A1NPSR1TP53
SCHEMBL11427053 0.84 ALDH1A1 (0.57) NR4A2MRGPRX4ALDH1A1NPSR1TP53
Terephthalic Acid SCHEMBL11039705 0.84 NR4A2 (0.69) NR4A2ALDH1A1MEN1HPGDKMT2A
SCHEMBL13316468 0.83 FOLH1 (0.61) NR4A2MRGPRX4TP53NFKB1NFKB2
SCHEMBL3312463 0.83 MRGPRX4 (0.60) MRGPRX4ALDH1A1NPSR1TP53NFKB1

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
CN-1906188-A Phenyl- [ 4- (3-phenyl-1H-pyrazol-4-yl) -pyrimidin-2-yl ] -amine derivatives as IGF-1R inhibitors NOVARTIS AG (CH) 2007-01-31 CN disclosed