SCHEMBL9723119

SCHEMBL9723119

CCOC(=O)c1cc(-n2c(C#N)c3n(c2=O)CCCC3)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.42
PDE3A Q14432 7/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 2/20 0.36
GAA P10253 2/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9710825 0.90 PDE3B (0.35) PDE3BPDE3AALDH1A1MAPK1SMN1; SMN2
SCHEMBL9710749 0.86 RORC (0.39) ALDH1A1TSHRMEN1LMNAKMT2A
SCHEMBL9710733 0.84 PPOX (0.53) PDE3BPDE3AALDH1A1MAPK1L3MBTL1
SCHEMBL9710655 0.84 DHODH (0.34) HPGD
SCHEMBL9710876 0.84 PPOX (0.54) ALDH1A1MAPK1KDM4EALOX15TSHR
SCHEMBL9710794 0.80 RORC (0.35) ALDH1A1SMN1; SMN2
SCHEMBL9710798 0.80 PPOX (0.44) ALDH1A1MAPK1KDM4ESMN1; SMN2TSHR
SCHEMBL9710809 0.79 PPOX (0.44) ALDH1A1MAPK1KDM4ESMN1; SMN2TSHR
SCHEMBL9710708 0.78 PPARG (0.33) ALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL9523231 0.78 PDE3B (0.42) PDE3BPDE3AALDH1A1KDM4ESMN1; SMN2

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-5153316-A Post and preemergence herbicides DOWELANCO 1992-10-06 US disclosed