SCHEMBL21765683

SCHEMBL21765683

O=C(CBr)NCc1ccc(NC(=O)CBr)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TPSAB1 Q15661 4/20 0.47
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
PTPN1 P18031 1/20 0.46
PRSS1 P07477 1/20 0.45
GAA P10253 1/20 0.44
CHRM1 P11229 1/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL3802255 0.90 NPC1 (0.45) NPC1MEN1KMT2ATPSAB1PTPN1
SCHEMBL3742024 0.88 PTPN1 (0.54) NPC1MEN1KMT2AHDAC3HDAC1
SCHEMBL15267699 0.84 KMT2A (0.60) NPC1MEN1KMT2AHDAC3HDAC4
SCHEMBL4787002 0.81 KMT2A (0.51) NPC1MEN1KMT2AHDAC3HDAC4
SCHEMBL8667875 0.81 KMT2A (0.48) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL32665587 0.81 TRPV1 (0.54) MEN1KMT2ATPSAB1PTPN1PRSS1
SCHEMBL28822072 0.81 L3MBTL1 (0.64) MEN1KMT2ATPSAB1PRSS1GAA
SCHEMBL23565002 0.79 KMT2A (0.66) NPC1MEN1KMT2AGAARAB9A
SCHEMBL20740269 0.79 LMNA (0.68) KMT2ARAB9APOLBLMNA
SCHEMBL23564742 0.79 KMT2A (0.65) NPC1MEN1KMT2ARAB9APOLB

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