SCHEMBL7092679

SCHEMBL7092679

CCCCc1ccnc(C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
HTT P42858 2/20 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
SCHEMBL7089255 0.89 NOS2 (0.36) LMNATSHRALDH1A1KDM4EL3MBTL1
SCHEMBL6642166 0.82 NOS3 (0.52) LMNAALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL21645886 0.81 CDK1 (0.40) KDM4EALOX15LNPEPCA2
SCHEMBL2993441 0.80 SKP2 (0.44) SKP2LMNATSHRALDH1A1KDM4E
SCHEMBL1146845 0.78 SKP2 (0.43) SKP2LMNATSHRALDH1A1KDM4E
SCHEMBL24696617 0.78 TDP1 (0.41) TDP1L3MBTL1MEN1CYP3A4KMT2A
SCHEMBL23909417 0.77 NR3C2 (0.49) KDM4EHTT
SCHEMBL8766286 0.77 SKP2 (0.42) SKP2LMNATSHRALDH1A1KDM4E
SCHEMBL6560564 0.76 KDM4E (0.44) SKP2LMNATSHRALDH1A1KDM4E
SCHEMBL6640410 0.75 HRH3 (0.40) ALDH1A1KDM4ETDP1L3MBTL1MEN1

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
WO-2003084662-A2 COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-10-16 WO disclosed