SCHEMBL22255702

SCHEMBL22255702

COC(=O)CC(N)Cc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HPGD P15428 1/20 0.43
MME P08473 3/20 0.41
ACACB O00763 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
EPHX1 P07099 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL24724925 1.00 POLB (0.44) POLBHDAC1HDAC6HPGDMME
SCHEMBL15037249 0.85 ESR1 (0.51)
SCHEMBL10258739 0.85 ESR1 (0.51)
SCHEMBL2617244 0.85 F2 (0.43) ALDH1A1
SCHEMBL10198456 0.84 MAPT (0.45) HDAC1HDAC6HPGDMMEEPHX1
SCHEMBL27917917 0.84 MAPT (0.45) HDAC1HDAC6HPGDMMEEPHX1
SCHEMBL22255858 0.84 SLC6A4 (0.56) ACACBKMT2ACYP1A2ALDH1A1
SCHEMBL14532451 0.84 ANPEP (0.41) ALDH1A1
Hydrochloric Acid SCHEMBL15092147 0.84 ESR1 (0.50)
Hydrochloric Acid SCHEMBL15092149 0.84 ESR1 (0.50)

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-3911645-B1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE UNIV LILLE (FR) 2022-12-07 EP disclosed
WO-2020148403-A1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE UNIVERSITE DE LILLE (FR) 2020-07-23 WO disclosed