SCHEMBL22900488

SCHEMBL22900488

CC(=O)C1=C(O)C(=O)N(c2ccc3[nH]cnc3c2)C1c1c(F)cc(Br)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 9/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 3/20 0.39
CCR1 P32246 4/20 0.39
CCR2 P41597 2/20 0.39
HIF1A Q16665 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
QPCT Q16769 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL22900439 0.90 RXFP1 (0.46) RXFP1ATMMEN1KMT2AALDH1A1
SCHEMBL22900255 0.83 QPCT (0.54) RXFP1ATMMEN1KMT2AALDH1A1
SCHEMBL3813355 0.83 ALDH1A1 (0.49) RXFP1ATMMEN1KMT2AALDH1A1
SCHEMBL4299323 0.82 RXFP1 (0.50) RXFP1ATMMEN1KMT2AALDH1A1
SCHEMBL4300306 0.81 ALDH1A1 (0.53) RXFP1MEN1KMT2AALDH1A1HPGD
SCHEMBL4303161 0.81 QPCT (0.53) RXFP1ATMMEN1KMT2AALDH1A1
SCHEMBL4297913 0.80 RXFP1 (0.51) RXFP1ATMMEN1KMT2AALDH1A1
SCHEMBL22900493 0.79 BRD4 (0.42) QPCT
SCHEMBL4296885 0.79 RXFP1 (0.43) RXFP1CCR1CCR2QPCT
SCHEMBL4296935 0.78 QPCT (0.37) RXFP1MEN1KMT2AALDH1A1HPGD

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
WO-2021009068-A1 N-SUBSTITUTED-3,4-(FUSED 5-RING)-5-PHENYL-PYRROLIDINE-2-ONE COMPOUNDS AS INHIBITORS OF ISOQC AND/OR QC ENZYME SCENIC IMMUNOLOGY B.V. (NL) 2021-01-21 WO disclosed