SCHEMBL20535015

SCHEMBL20535015

CC(=O)[C@@H](Br)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ADRA1D P25100 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
PARP1 P09874 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
BRD4 O60885 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ALOX15 P16050 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
SCHEMBL30826369 1.00 ACP3 (0.45) ACP3MEN1KMT2AADRA1DALDH1A1
SCHEMBL20526670 1.00 ACP3 (0.45) ACP3MEN1KMT2AADRA1DALDH1A1
SCHEMBL1614039 0.85 MEN1 (0.53) ACP3MEN1KMT2AALDH1A1HPGD
SCHEMBL8128064 0.85 MEN1 (0.53) ACP3MEN1KMT2AALDH1A1HPGD
SCHEMBL9297066 0.83 ACP3 (0.46) ACP3MEN1KMT2AADRA1DALDH1A1
SCHEMBL9297070 0.83 ACP3 (0.46) ACP3MEN1KMT2AADRA1DALDH1A1
SCHEMBL30544183 0.83 ACP3 (0.46) ACP3MEN1KMT2AADRA1DALDH1A1
SCHEMBL7471497 0.81 PARP1 (0.48) ACP3MEN1KMT2AADRA1DPARP1
SCHEMBL22917154 0.81 ACP3 (0.47) ACP3MEN1KMT2AADRA1DALDH1A1
SCHEMBL661853 0.81 KMT2A (0.48) ACP3MEN1KMT2AHPGDALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609876-A1 COVALENT SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2020-02-19 EP disclosed
WO-2018191199-A1 COVALENT SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-10-18 WO disclosed