SCHEMBL7545892

SCHEMBL7545892

O=C(CBr)NCCN(Cc1ccccc1)C(=O)CBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.56
KCNH2 Q12809 2/20 0.49
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKT1 P31749 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC4 P56524 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42

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
SCHEMBL7545595 0.81 REN (0.57) RENKCNH2ALDH1A1L3MBTL1NPSR1
SCHEMBL7278710 0.81 LMNA (0.53) RENALDH1A1AKT1NPSR1MEN1
SCHEMBL19384904 0.75 L3MBTL1 (0.51) RENKCNH2ALDH1A1L3MBTL1NPSR1
SCHEMBL1041910 0.74 L3MBTL1 (0.74) ALDH1A1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL29100479 0.74 ALDH1A1 (0.66) ALDH1A1AKT1MEN1KMT2ANPC1
SCHEMBL11884007 0.74 REN (0.57) RENKCNH2ALDH1A1NPSR1HDAC3
SCHEMBL6425753 0.74 HDAC3 (0.60) ALDH1A1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL4001303 0.73 CNR2 (0.64) RENKCNH2NPC1RAB9APAX8
SCHEMBL8443451 0.72 TRPV1 (0.73) ALDH1A1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL8781086 0.71 MTNR1A (0.52) KCNH2HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815091-B1 POLYAZACYCLOALKANE COMPOUNDS NYCOMED IMAGING AS (NO) 2002-06-12 EP disclosed
EP-0815091-A1 POLYAZACYCLOALKANE COMPOUNDS NYCOMED IMAGING AS (NO) 1998-01-07 EP disclosed
US-5705637-A Polyazacycloalkane compounds NYCOMED IMAGING AS (NO) 1998-01-06 US disclosed
US-5677446-A Polyazacycloalkane compounds NYCOMED IMAGING AS (NO) 1997-10-14 US disclosed
US-5631368-A Polyazacycloalkane compounds NYCOMED IMAGING AS (NO) 1997-05-20 US disclosed
WO-1996028433-A1 POLYAZACYCLOALKANE COMPOUNDS NYCOMED IMAGING A.S (NO) 1996-09-19 WO disclosed