SCHEMBL10079261

SCHEMBL10079261

NCc1cc(Cl)cc(CNC[C@H]2CC[C@H](CN)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CXCR4 P61073 10/20 0.38
CRHR1 P34998 1/20 0.37
GRM4 Q14833 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL10080416 0.90 PRMT5 (0.40) PRKCQMEN1KMT2ATP53CYP3A4
SCHEMBL10079265 0.86 PRMT5 (0.35) PRKCQMEN1KMT2ATP53CYP3A4
SCHEMBL10080359 0.85 PRMT5 (0.58) PRMT5WDR77CXCR4
SCHEMBL10079262 0.82 POLB (0.41) PRKCQMEN1KMT2ACXCR4RAB9A
SCHEMBL10079675 0.78 PRMT5 (0.41) PRMT5WDR77
SCHEMBL20625942 0.77 HDAC6 (0.49) MEN1KMT2ATP53CYP3A4CYP2D6
SCHEMBL10079676 0.73 LTA4H (0.37) CYP2D6PRMT5WDR77
SCHEMBL29760365 0.72 CXCR4 (0.59) PRKCQMEN1KMT2ATP53CYP3A4
SCHEMBL22183983 0.72 HDAC6 (0.53) MEN1KMT2ATP53CYP3A4CYP2D6
SCHEMBL10079673 0.71 CXCR4 (0.51) MEN1KMT2ACXCR4

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