SCHEMBL21765669

SCHEMBL21765669

O=C(CBr)NCc1ccccc1NC(=O)CBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 3/20 0.39
AANAT Q16613 1/20 0.39

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
SCHEMBL9366699 0.89 MAPK1 (0.47) HPGDALDH1A1HDAC3HDAC4HDAC1
SCHEMBL3623817 0.82 HPGD (0.65) HPGDALDH1A1HDAC3HDAC4HDAC1
SCHEMBL2251775 0.82 HDAC3 (0.61) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1939816 0.81 MAPK1 (0.50) HPGDALDH1A1HDAC3HDAC4HDAC1
SCHEMBL29531243 0.81 MAPK1 (0.50) HPGDALDH1A1HDAC3HDAC4HDAC1
SCHEMBL21765656 0.79 HDAC3 (0.50) HPGDALDH1A1HDAC3HDAC4HDAC1
SCHEMBL28822093 0.79 HTT (0.47) HPGDALDH1A1RAB9ANPC1KMT2A
SCHEMBL32665522 0.79 TSHR (0.53) HPGDAANATKDM4E
SCHEMBL29025528 0.78 L3MBTL1 (0.62) HPGDALDH1A1RAB9ALMNAMAPT
SCHEMBL23134945 0.77 HPGD (0.57) HPGDALDH1A1RAB9ALMNAMAPT

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-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed