SCHEMBL8819672

SCHEMBL8819672

O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
KCNMA1 Q12791 2/20 0.73
EPHX1 P07099 1/20 0.73
HDAC1 Q13547 3/20 0.69
HDAC8 Q9BY41 3/20 0.69
HDAC6 Q9UBN7 3/20 0.69
KDM4E B2RXH2 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
MAPT P10636 1/20 0.62
SERPINE1 P05121 1/20 0.60
POLB P06746 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58

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
Iodide SCHEMBL30758629 0.98 MEN1 (0.80) MEN1KMT2AKCNMA1EPHX1HDAC1
SCHEMBL3793263 0.88 KCNMA1 (0.76) MEN1KMT2AKCNMA1EPHX1KDM4E
SCHEMBL9300675 0.87 EPHX1 (0.74) MEN1KMT2AKCNMA1EPHX1HDAC1
SCHEMBL8804658 0.86 KDM4E (0.82) MEN1KMT2AKCNMA1KDM4ENPSR1
SCHEMBL9362200 0.85 HDAC1 (0.68) MEN1KMT2AKCNMA1HDAC1HDAC8
SCHEMBL3790049 0.85 MAPT (0.83) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL20612888 0.85 HDAC1 (0.68) MEN1KMT2AKCNMA1EPHX1HDAC1
SCHEMBL14476825 0.85 KCNMA1 (1.00) MEN1KMT2AKCNMA1HDAC1POLB
SCHEMBL1520032 0.83 KCNMA1 (0.75) MEN1KMT2AKCNMA1HDAC1HDAC8
SCHEMBL31670343 0.83 KCNMA1 (0.69) MEN1KMT2AKCNMA1EPHX1HDAC1

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-1997047625-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO disclosed