SCHEMBL28612925

SCHEMBL28612925

CNC(=O)Oc1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
DGAT1 O75907 1/20 0.42
ALDH1A1 P00352 4/20 0.41
PGR P06401 1/20 0.41
GAA P10253 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A4 P31645 1/20 0.41
MAPT P10636 1/20 0.40
NCEH1 Q6PIU2 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3279771 0.83 TSHR (0.48) AAK1L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL27698023 0.83 AAK1 (0.50) AAK1L3MBTL1KMT2ADGAT1ALDH1A1
SCHEMBL20660752 0.81 ALDH1A1 (0.47) AAK1L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL1020566 0.81 CFD (0.51) AAK1L3MBTL1KDM4EDGAT1ALDH1A1
SCHEMBL28813220 0.80 KDM4E (0.42) L3MBTL1KDM4EKMT2AALDH1A1PGR
SCHEMBL19086383 0.78 HPGD (0.52) AAK1L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL5197975 0.77 DGAT1 (0.55) AAK1L3MBTL1KDM4EKMT2ADGAT1
SCHEMBL5965056 0.77 ALOX15 (0.46) AAK1L3MBTL1KDM4EKMT2ADGAT1
SCHEMBL8846899 0.76 NCEH1 (0.43) AAK1L3MBTL1DGAT1ALDH1A1GAA
SCHEMBL11643870 0.75 ABCB1 (0.44) L3MBTL1KDM4EKMT2AALDH1A1PGR

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-107660205-B Heterocyclic compounds as LSD1 inhibitors 因赛特公司 2021-08-27 CN disclosed