SCHEMBL14740667

SCHEMBL14740667

Clc1ccc(CNCC2CCCNC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
MEN1 O00255 1/20 0.46
CXCR4 P61073 1/20 0.45
KCNH2 Q12809 1/20 0.43
POLB P06746 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC5 Q9UQL6 1/20 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
SCHEMBL4953532 0.85 CXCR4 (0.50) KMT2ANPC1RAB9ACXCR4
SCHEMBL31507093 0.81 PRMT5 (0.70) KMT2ANPC1RAB9APRMT5WDR77
SCHEMBL12085509 0.81 CXCR4 (0.40) KMT2APRMT5WDR77CXCR4HDAC6
SCHEMBL20325080 0.80 KMT2A (0.46) KMT2ANPC1RAB9APRMT5WDR77
SCHEMBL10079675 0.80 PRMT5 (0.41) PRMT5WDR77KCNH2
SCHEMBL13576643 0.80 KCNH2 (0.53) KCNH2
SCHEMBL13576618 0.80 KCNH2 (0.53) KCNH2
SCHEMBL3637783 0.79 KMT2A (0.64) KMT2ANPC1RAB9APRMT5WDR77
SCHEMBL530604 0.79 CHEK1 (0.44)
SCHEMBL13186664 0.77 KCNH2 (0.56) KMT2AMEN1KCNH2

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-2013033310-A1 MODULATORS OF REV-ERB KAMENECKA THEODORE MARK (US) 2013-03-07 WO disclosed