SCHEMBL22900586

SCHEMBL22900586

C=C1NC(c2ccc(Br)cc2F)c2c1nn(C)c2C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 1/20 0.39
▸ KDM1A O60341 2/20 0.36
▸ KDM1B Q8NB78 1/20 0.36
▸ FPR2 P25090 1/20 0.35
▸ PROKR1 Q8TCW9 1/20 0.35
▸ BRD4 O60885 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CASP3 P42574 1/20 0.31

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
SCHEMBL22900276 0.86 NMT1 (0.41) NMT1KDM1AKDM1BFPR2PROKR1
SCHEMBL22900585 0.62 KDM1A (0.36) KDM1AKDM1B
SCHEMBL28506116 0.59 KDM1A (0.47) KDM1AKDM1B
SCHEMBL8243578 0.58 KDM1A (0.58) KDM1AKDM1B
SCHEMBL29739167 0.58 KDM1A (0.58) KDM1AKDM1B
SCHEMBL13889166 0.57 KDM1A (0.68) KDM1AKDM1B
SCHEMBL30663472 0.57 BRD4 (0.50) NMT1FPR2PROKR1BRD4L3MBTL1
SCHEMBL19519416 0.57 KDM1A (0.52) KDM1AKDM1B
SCHEMBL27619681 0.57 KDM1A (0.56) KDM1AKDM1B
SCHEMBL18622406 0.56 NMT1 (0.42) NMT1FPR2PROKR1L3MBTL1CASP3

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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