SCHEMBL10187442

SCHEMBL10187442

CCN(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 7/20 0.69
KDM4E B2RXH2 3/20 0.66
ALDH1A1 P00352 2/20 0.66
HRH3 Q9Y5N1 2/20 0.60
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MAOB P27338 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
CNR2 P34972 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL69821 0.95 PYCR1 (0.69) PYCR1KDM4EALDH1A1HRH3HDAC8
SCHEMBL27863482 0.87 PYCR1 (0.61) PYCR1KDM4EALDH1A1HRH3HDAC8
SCHEMBL4592107 0.84 ALDH1A1 (0.59) PYCR1KDM4EALDH1A1HRH3HDAC8
SCHEMBL22340499 0.82 PYCR1 (0.64) PYCR1KDM4EALDH1A1HRH3HDAC8
SCHEMBL7768079 0.82 HRH3 (0.84) PYCR1HRH3HDAC8HDAC6CNR2
SCHEMBL4592097 0.81 PYCR1 (0.54) PYCR1KDM4EALDH1A1HRH3HDAC8
SCHEMBL3620117 0.81 KDM4E (0.56) PYCR1KDM4EALDH1A1HRH3HDAC8
SCHEMBL4278577 0.80 KDM4E (1.00) PYCR1KDM4EALDH1A1HRH3MAOB
SCHEMBL3612184 0.80 KDM4E (0.54) PYCR1KDM4EALDH1A1HRH3
SCHEMBL1241075 0.79 KDM4E (0.69) PYCR1KDM4EALDH1A1MAOBTAAR1

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-20120046735-A1 PLASMA MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2012-02-23 US disclosed