SCHEMBL9876255

SCHEMBL9876255

O=C1ONC(c2ccc(Cl)cc2)C1N1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
TYMS P04818 1/20 0.37
ERCC1 P07992 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
PARP1 P09874 1/20 0.36
NPSR1 Q6W5P4 3/20 0.35
HTT P42858 2/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL9541318 0.66 CYP1B1 (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL28283363 0.65 KMT2A (0.70) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL30553977 0.65 KMT2A (0.70) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL9876170 0.63 KDM4E (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL371265 0.60 ERCC1 (0.63) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL862546 0.60 ERCC1 (0.63) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL8407065 0.60 ERCC1 (0.63) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL11538199 0.60 TSHR (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL23254290 0.58 KDM4E (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL7572742 0.58 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMEN1KMT2A

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-5076831-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-12-31 US disclosed