SCHEMBL10079265

SCHEMBL10079265

NCc1cc(Cl)cc(CNC[C@@H]2CCC[C@H](CN)C2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PRKCQ Q04759 2/20 0.34
CXCR4 P61073 7/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
GNRHR P30968 1/20 0.33
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SCN9A Q15858 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL10079261 0.86 PRKCQ (0.43) PRMT5WDR77PRKCQCXCR4KMT2A
SCHEMBL10079675 0.79 PRMT5 (0.41) PRMT5WDR77EPHX1
SCHEMBL10080416 0.79 PRMT5 (0.40) PRMT5WDR77PRKCQCXCR4KMT2A
SCHEMBL10080359 0.78 PRMT5 (0.58) PRMT5WDR77CXCR4
SCHEMBL18096447 0.76 CXCR4 (0.50) CXCR4KMT2AMEN1HDAC6NPC1
SCHEMBL10079676 0.72 LTA4H (0.37) PRMT5WDR77CYP2D6
SCHEMBL25895829 0.72 CYP2D6 (0.42) PRKCQKMT2AMEN1CYP2D6GNRHR
SCHEMBL10079262 0.71 POLB (0.41) PRKCQCXCR4KMT2AMEN1RAB9A
SCHEMBL7936390 0.69 HRH3 (0.42)
SCHEMBL22183983 0.68 HDAC6 (0.53) PRMT5WDR77CXCR4KMT2AMEN1

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-2012020220-A1 COMPOUNDS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed