SCHEMBL9767892

SCHEMBL9767892

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL9767953 0.86 FFAR4 (0.47) KMT2AMEN1FFAR4POLBMAPT
SCHEMBL3229064 0.82 HSD17B10 (0.49) KMT2AMEN1FFAR4TDP1POLB
SCHEMBL9767984 0.79 FFAR4 (0.50) KMT2AMEN1FFAR4PKMTDP1
SCHEMBL9767917 0.79 GAA (0.39) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL11149132 0.78 HTR2A (0.56) POLBMAPTALDH1A1
SCHEMBL9767980 0.76 HSD17B10 (0.51) KMT2AMEN1PKMMAPTHSD17B10
SCHEMBL863170 0.76 HSD17B10 (0.55) KMT2AMEN1FFAR4TDP1GAA
SCHEMBL26343383 0.76 FFAR4 (0.52) KMT2AMEN1FFAR4PKMTDP1
SCHEMBL28695929 0.76 HSD17B10 (0.58) KMT2AMEN1FFAR4TDP1MAPT
SCHEMBL10581730 0.74 MEN1 (0.48) KMT2AMEN1PKMTDP1POLB

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