SCHEMBL22900275

SCHEMBL22900275

CC(=O)C1=C(O)C(=O)NC1c1ccc(Br)cc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 3/20 0.45
▸ CCR2 P41597 3/20 0.45
▸ USP2 O75604 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM1A O60341 2/20 0.40
▸ KDM1B Q8NB78 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ RXFP1 Q9HBX9 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ RECQL P46063 1/20 0.35

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
SCHEMBL12766638 0.80 GAA (0.53) USP2POLBKMT2AMEN1GAA
SCHEMBL6778457 0.71 TDP1 (0.47) USP2HSD17B10TP53RXFP1KMT2A
SCHEMBL29005804 0.68 POLB (0.57) USP2POLBHSD17B10TP53GAA
SCHEMBL22900276 0.66 NMT1 (0.41) USP2POLBKDM1AKDM1BNPSR1
SCHEMBL29820628 0.64 DGAT1 (0.66) KMT2AGAAALDH1A1DGAT1
SCHEMBL8204 0.64 DGAT1 (0.66) KMT2AGAAALDH1A1DGAT1
SCHEMBL22778088 0.63 KDM1A (0.56) KDM1AKDM1BKMT2AMEN1NPSR1
SCHEMBL30021045 0.63 KDM1A (0.56) KDM1AKDM1BKMT2AMEN1NPSR1
SCHEMBL20177644 0.62 KDM1A (0.47) KDM1AKDM1BKMT2AMEN1DGAT1
SCHEMBL5940620 0.62 KDM1A (0.43) KDM1AKDM1BKMT2AMEN1ALDH1A1

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
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