SCHEMBL359185

SCHEMBL359185

Cc1ccc2c(Cl)c(C#N)c(=O)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.48
PDE1C Q14123 1/20 0.48
KDM4E B2RXH2 5/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
GAA P10253 2/20 0.42
PTGES O14684 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
KIF11 P52732 1/20 0.40
PIM1 P11309 2/20 0.40
DAO P14920 1/20 0.40
DDO Q99489 1/20 0.40

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
SCHEMBL5529450 0.88 PDE9A (0.51) PDE9APDE1CKDM4EMAOAMAOB
SCHEMBL359150 0.82 KDM5A (0.57) PDE9APDE1CKDM4EGAAALDH1A1
SCHEMBL2870927 0.82 KDM5A (0.47) PDE9AKDM4EGAAALDH1A1GLA
SCHEMBL1621734 0.78 PDE9A (0.62) PDE9APDE1CKDM4EGAAALDH1A1
SCHEMBL18584332 0.75 PTGES (0.49) PDE9AKDM4EGAAPTGESALDH1A1
SCHEMBL10193365 0.75 KIF11 (0.48) PDE9APDE1CKDM4EMAOAMAOB
SCHEMBL2867172 0.75 ALDH1A1 (0.50) PDE9AKDM4EALDH1A1POLBHSD17B10
SCHEMBL13280383 0.74 ALDH1A1 (0.41) PDE9AKDM4EGAAPTGESALDH1A1
SCHEMBL359483 0.74 HSD11B1 (0.41) PDE9AKDM4EGAAPTGESALDH1A1
SCHEMBL24199985 0.74 PDE9A (0.58) PDE9AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2696682-A2 MIF INHIBITORS AND THEIR USES Innovimmune Biotherapeutics, Inc. (US) 2014-02-19 EP disclosed
EP-2592933-A1 MIF INHIBITORS AND THEIR USES Gaweco, Anderson (US) 2013-05-22 EP disclosed
WO-2012142498-A2 MIF INHIBITORS AND THEIR USES INNOVIMMUNE BIOTHERAPEUTICS, INC. (US) 2012-10-18 WO disclosed
WO-2012009649-A1 MIF INHIBITORS AND THEIR USES GAWECO ANDERSON (US) 2012-01-19 WO disclosed