SCHEMBL9906705

SCHEMBL9906705

Cc1ccc(CNCC2CCC(CNCCOCCO)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM2 P08172 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
RAD52 P43351 1/20 0.37
PAX8 Q06710 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL13540713 0.86 KMT2A (0.52) CXCR4MEN1KMT2ACHRM2ALDH1A1
SCHEMBL22917361 0.82 CXCR4 (0.56) CXCR4MEN1KMT2ACHRM2HDAC6
SCHEMBL9906707 0.79 CXCR4 (0.51) CXCR4MEN1KMT2ACHRM2HDAC6
SCHEMBL1625040 0.77 ALDH1A1 (0.49) MEN1KMT2AALDH1A1TSHRRAD52
SCHEMBL20625943 0.75 CXCR4 (0.53) CXCR4MEN1KMT2ACHRM2HDAC6
SCHEMBL9906708 0.75 SMN1; SMN2 (0.42) CXCR4ALDH1A1TSHREPHX2
SCHEMBL18088394 0.75 RAB9A (0.60) CXCR4MEN1KMT2ACHRM2HDAC6
SCHEMBL9906706 0.73 CXCR4 (0.44) CXCR4MEN1KMT2ACHRM2HDAC6
SCHEMBL1967608 0.73 NPC1 (0.46) CXCR4MEN1KMT2ACHRM2ALDH1A1
SCHEMBL13792281 0.71 RAB9A (0.56) CXCR4MEN1KMT2ACHRM2HDAC6

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
US-8198303-B2 Methods of use and compositions for the diagnosis and treatment of infectious diseases SEQUELLA, INC. (US) 2012-06-12 US disclosed