SCHEMBL29337022

SCHEMBL29337022

CC1(N)C(=O)Nc2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CMA1 P23946 1/20 0.43
AHR P35869 1/20 0.43
PIM1 P11309 2/20 0.43
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
LMNA P02545 3/20 0.40
GAA P10253 3/20 0.40
HTR6 P50406 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.38
AKR1B1 P15121 1/20 0.37
TGM2 P21980 1/20 0.37
CES1 P23141 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL29519108 0.81 PDK2 (0.55) MEN1KMT2ACMA1AHRPIM1
SCHEMBL1223198 0.81 PDK2 (0.55) MEN1KMT2ACMA1AHRPIM1
SCHEMBL11829 0.79 MEN1 (0.52) MEN1KMT2ACMA1AHRPIM1
SCHEMBL29502068 0.79 MEN1 (0.52) MEN1KMT2ACMA1AHRPIM1
SCHEMBL31440532 0.79 MEN1 (0.52) MEN1KMT2ACMA1AHRPIM1
SCHEMBL25255334 0.79 MEN1 (0.46) MEN1KMT2ACMA1AHRPIM1
SCHEMBL31220002 0.76 MEN1 (0.44) MEN1KMT2ACMA1AHRPIM1
SCHEMBL22128204 0.76 MEN1 (0.47) MEN1KMT2ACMA1AHRPIM1
SCHEMBL12742988 0.76 MEN1 (0.44) MEN1KMT2ACMA1AHRPIM1
SCHEMBL30847461 0.76 MEN1 (0.50) MEN1KMT2ACMA1AHRPIM1

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-2024148191-A1 MODULATORS OF TNF-α ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed