SCHEMBL6233012

SCHEMBL6233012

COc1ccc(CNC(C)c2ncc(C)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.43
CTSA P10619 1/20 0.42
CHRM2 P08172 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FYN P06241 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
VNN1 O95497 1/20 0.39
LMNA P02545 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL6255976 1.00 CASR (0.49) CASRL3MBTL1CTSACHRM2ALDH1A1
SCHEMBL6237852 0.84 BCHE (0.54) POLBMEN1KMT2A
SCHEMBL6237847 0.84 BCHE (0.54) POLBMEN1KMT2A
SCHEMBL6230736 0.80 HPGD (0.42) HPGD
SCHEMBL6276107 0.78 MTNR1A (0.46) CASRCTSAALDH1A1POLBLMNA
SCHEMBL6235475 0.78 MTNR1A (0.46) CASRCTSAALDH1A1POLBLMNA
SCHEMBL6236037 0.77 MAOB (0.45) CTSA
SCHEMBL6236034 0.77 MAOB (0.45) CTSA
SCHEMBL6231703 0.76 LMNA (0.53) L3MBTL1ALDH1A1MEN1KMT2ATDP1
SCHEMBL6231706 0.76 LMNA (0.53) L3MBTL1ALDH1A1MEN1KMT2ATDP1

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-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed