SCHEMBL13708142

SCHEMBL13708142

N#Cc1c(CC2CCCC2)sc(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)no2)c1N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CXCR1 P25024 1/20 0.34
USP30 Q70CQ3 3/20 0.33
ADORA1 P30542 1/20 0.32
VCP P55072 1/20 0.32
EPHX1 P07099 1/20 0.32
MELK Q14680 1/20 0.32
KDM1A O60341 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3816601 0.84 MEN1 (0.41) IKBKBKMT2AMEN1POLBMAPK1
SCHEMBL3821234 0.78 MEN1 (0.43) KMT2AMEN1POLBMAPK1RAB9A
SCHEMBL3819258 0.77 ALDH1A1 (0.54) IKBKBKMT2AMEN1POLBMAPK1
SCHEMBL3816421 0.73 MELK (0.41) KMT2APOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL4475686 0.72 ALDH1A1 (0.45) KMT2AMEN1MAPK1RAB9AALDH1A1
SCHEMBL4473963 0.72 CYP1A2 (0.46) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL3824051 0.71 USP30 (0.44) KMT2APOLBMAPK1ALDH1A1MAPT
SCHEMBL4467624 0.71 USP30 (0.43) POLBMAPK1RAB9AALDH1A1MAPT
SCHEMBL4475531 0.71 USP30 (0.47) KMT2AMEN1POLBMAPK1ALDH1A1
SCHEMBL13711809 0.71 MELK (0.39) KMT2AMEN1POLBALDH1A1MAPT

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
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed