SCHEMBL6529657

SCHEMBL6529657

[CH2]c1cn(Cc2ccccc2Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 4/20 0.46
KDM2A Q9Y2K7 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KDM4C Q9H3R0 2/20 0.45
KDM5A P29375 1/20 0.45
KDM2B Q8NHM5 1/20 0.44
CYP19A1 P11511 1/20 0.43
KDM5B Q9UGL1 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
CYP2A13 Q16696 2/20 0.39
ACP1 P24666 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL24844782 0.83 PHF8 (0.53) PHF8SMN1; SMN2RAB9AKDM2ALMNA
SCHEMBL6529662 0.80 PHF8 (0.54) PHF8SMN1; SMN2RAB9AKDM2ALMNA
SCHEMBL24844792 0.80 PHF8 (0.51) PHF8SMN1; SMN2RAB9AKDM2ALMNA
SCHEMBL1196868 0.79 HPGDS (0.51) PHF8RAB9AKDM4CKDM5ACYP19A1
SCHEMBL10795248 0.79 PHF8 (0.50) PHF8SMN1; SMN2RAB9AKDM2ALMNA
SCHEMBL6530474 0.76 ALDH1A1 (0.43) LMNAHTTKDM4CL3MBTL1MEN1
SCHEMBL9714098 0.74 LMNA (0.50) PHF8SMN1; SMN2RAB9AKDM2ALMNA
SCHEMBL6531582 0.74 CYP11B1 (0.49) PHF8SMN1; SMN2RAB9AHTTKDM4C
SCHEMBL19383009 0.71 PHF8 (0.58) PHF8KDM2AKDM4CKDM5AKDM2B
SCHEMBL10567713 0.71 MEN1 (0.60) PHF8SMN1; SMN2RAB9ALMNAKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed