SCHEMBL12464387

SCHEMBL12464387

O=C(C1CCC1)N(Cc1ccc(Cl)cc1)c1csc(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.51
CPB1 P15086 1/20 0.50
NR1H4 Q96RI1 12/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
CNR1 P21554 2/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
AGER Q15109 1/20 0.41

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
SCHEMBL12464648 0.96 CPB1 (0.52) CNR2CPB1NR1H4SMN1; SMN2MAPT
SCHEMBL2157810 0.93 CPB1 (0.57) CNR2CPB1NR1H4SMN1; SMN2MAPT
SCHEMBL2157556 0.89 CPB1 (0.59) CPB1NR1H4SMN1; SMN2MAPTKMT2A
SCHEMBL12464430 0.88 CPB1 (0.47) CNR2CPB1NR1H4SMN1; SMN2LMNA
SCHEMBL12464236 0.86 CPB1 (0.51) CNR2CPB1NR1H4MAPTKMT2A
SCHEMBL12464574 0.83 NR1H4 (0.49) CPB1NR1H4MAPTKMT2ALMNA
SCHEMBL12464234 0.83 CPB1 (0.48) CPB1NR1H4MAPTKMT2ALMNA
SCHEMBL2157590 0.83 CPB1 (0.44) CNR2CPB1NR1H4MAPTKMT2A
SCHEMBL2158429 0.81 LTB4R2 (0.47) CNR2MAPTKMT2ALMNACNR1
SCHEMBL2157917 0.81 HTT (0.43) CNR2CPB1NR1H4SMN1; SMN2MAPT

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-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed