SCHEMBL30847461

SCHEMBL30847461

CC(C)C1(C)C(=O)Nc2cc(Br)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.42
CMA1 P23946 1/20 0.41
AHR P35869 1/20 0.41
PIM1 P11309 2/20 0.41
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
HTR6 P50406 2/20 0.35
AKR1B1 P15121 1/20 0.35
PKM P14618 1/20 0.35
TGM2 P21980 1/20 0.35
CES1 P23141 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL22632577 0.87 MEN1 (0.51) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL24029215 0.81 AKR1B1 (0.43) MEN1KMT2AALDH1A1GAAAKR1B1
SCHEMBL23835847 0.81 AKR1B1 (0.43) MEN1KMT2AALDH1A1GAAAKR1B1
SCHEMBL23836087 0.80 AKR1B1 (0.44) CMA1AHRHTR6AKR1B1PKM
SCHEMBL24019924 0.80 KMT2A (0.40) MEN1KMT2AHTR6AKR1B1TGM2
SCHEMBL23835757 0.80 KMT2A (0.40) MEN1KMT2AHTR6AKR1B1TGM2
SCHEMBL23835849 0.80 AKR1B1 (0.44) CMA1AHRHTR6AKR1B1PKM
SCHEMBL1223198 0.79 PDK2 (0.55) MEN1KMT2AALDH1A1CMA1AHR
SCHEMBL29519108 0.79 PDK2 (0.55) MEN1KMT2AALDH1A1CMA1AHR
SCHEMBL15210589 0.79 MEN1 (0.56) MEN1KMT2AALDH1A1CMA1AHR

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-2024064316-A1 COMPOUNDS AND COMPOSITIONS AS SMARCA2/4 INHIBITORS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-03-28 WO disclosed