SCHEMBL12464430

SCHEMBL12464430

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.47
NR1H4 Q96RI1 12/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC5 Q9UQL6 1/20 0.43
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL12464234 0.96 CPB1 (0.48) CPB1NR1H4HDAC1HDAC8HDAC6
SCHEMBL2157810 0.90 CPB1 (0.57) CPB1NR1H4LMNASMN1; SMN2CNR2
SCHEMBL12464387 0.88 CNR2 (0.51) CPB1NR1H4LMNASMN1; SMN2CNR2
SCHEMBL12464574 0.86 NR1H4 (0.49) CPB1NR1H4HDAC1HDAC8HDAC6
SCHEMBL2157556 0.85 CPB1 (0.59) CPB1NR1H4HDAC6LMNASMN1; SMN2
SCHEMBL12464648 0.83 CPB1 (0.52) CPB1NR1H4HDAC6LMNASMN1; SMN2
SCHEMBL12464236 0.82 CPB1 (0.51) CPB1NR1H4LMNACNR2CNR1
SCHEMBL12464572 0.81 LTB4R2 (0.46) NR1H4HDAC1HDAC8HDAC6PTGDR2
SCHEMBL3807187 0.80 CPB1 (0.41) CPB1NR1H4HDAC1HDAC8HDAC6
SCHEMBL2157590 0.80 CPB1 (0.44) CPB1NR1H4LMNACNR2CNR1

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