SCHEMBL9767953

SCHEMBL9767953

O=C(O)C(Cl)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.47
KMT2A Q03164 5/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 1/20 0.43
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
PLA2G1B P04054 1/20 0.41
MAPT P10636 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL9767892 0.86 KMT2A (0.46) FFAR4KMT2AHSD17B10LMNAKDM4E
SCHEMBL3229064 0.81 HSD17B10 (0.49) FFAR4KMT2AHSD17B10LMNAKDM4E
SCHEMBL9767984 0.80 FFAR4 (0.50) FFAR4KMT2AHSD17B10LMNAKDM4E
SCHEMBL9767957 0.78 GAA (0.37) KMT2AHSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL9767980 0.77 HSD17B10 (0.51) KMT2AHSD17B10LMNAKDM4EALDH1A1
SCHEMBL3266897 0.77 CYP1A2 (0.64) FFAR4KMT2AHSD17B10LMNAKDM4E
SCHEMBL2528182 0.77 CYP1A2 (0.64) FFAR4KMT2AHSD17B10LMNAKDM4E
SCHEMBL26343383 0.77 FFAR4 (0.52) FFAR4KMT2AHSD17B10LMNAKDM4E
SCHEMBL28695929 0.77 HSD17B10 (0.58) FFAR4KMT2AHSD17B10LMNAKDM4E
Water SCHEMBL6057599 0.76 CYP1A2 (0.62) FFAR4KMT2AHSD17B10LMNAKDM4E

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-5013354-A Tetrahydrophthalimido group, herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-07 US disclosed