SCHEMBL22152182

SCHEMBL22152182

C[C@H](CO)Cn1cc(-c2ccc(-c3cc4c5ccccc5n(C[C@H](C)CO)c4cc3Br)cc2)c2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.40
DNM1 Q05193 7/20 0.38
MEN1 O00255 1/20 0.37
RAD52 P43351 1/20 0.37
KMT2A Q03164 1/20 0.37
ASH1L Q9NR48 2/20 0.36
TSPO P30536 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DNMT1 P26358 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
EGFR P00533 1/20 0.33
MET P08581 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL22156316 0.82 KAT2B (0.45) KAT2BDNM1MEN1KMT2AASH1L
SCHEMBL22156262 0.82 DNM1 (0.50) KAT2BDNM1MEN1RAD52KMT2A
SCHEMBL25492221 0.71 DNM1 (0.57) DNM1MEN1RAD52KMT2ATSPO
SCHEMBL8182522 0.71 BACE1 (0.60) KAT2BDNM1ALDH1A1HPGDKDM4E
SCHEMBL8175096 0.71 BACE1 (0.60) KAT2BDNM1ALDH1A1HPGDKDM4E
SCHEMBL8175105 0.71 BACE1 (0.60) KAT2BDNM1ALDH1A1HPGDKDM4E
SCHEMBL483188 0.70 ALDH1A1 (0.54) DNM1MEN1RAD52KMT2ATSPO
SCHEMBL22122216 0.67 KAT2B (0.68) KAT2BALDH1A1SMN1; SMN2
SCHEMBL22122215 0.67 KAT2B (0.68) KAT2BALDH1A1SMN1; SMN2
SCHEMBL22156325 0.67 SMN1; SMN2 (0.49) KAT2BMEN1KMT2AALDH1A1MAPT

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-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed