SCHEMBL7545595

SCHEMBL7545595

O=C(CCl)NCCN(Cc1ccccc1)C(=O)CCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.57
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 5/20 0.54
HTT P42858 3/20 0.54
PAX8 Q06710 2/20 0.54
GLA P06280 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KCNH2 Q12809 2/20 0.50
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
JAK2 O60674 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL5451636 0.82 NPC1 (0.67) RENNPC1RAB9AKMT2AMEN1
SCHEMBL2902849 0.81 NPC1 (0.62) RENNPC1RAB9AKMT2AMEN1
SCHEMBL7545892 0.81 REN (0.56) RENNPC1RAB9AKMT2AMEN1
SCHEMBL27498819 0.80 NPC1 (0.60) RENNPC1RAB9AKMT2AMEN1
SCHEMBL17532686 0.80 ALDH1A1 (0.46) RENNPC1RAB9AKMT2AMEN1
SCHEMBL2798062 0.78 REN (0.61) RENNPC1RAB9AKMT2AMEN1
SCHEMBL11125181 0.78 ALDH1A1 (0.50) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL29550302 0.76 ALDH1A1 (0.48) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL17061628 0.76 VNN1 (0.58) RENNPC1RAB9AKMT2AMEN1
SCHEMBL17061616 0.76 VNN1 (0.58) RENNPC1RAB9AKMT2AMEN1

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