SCHEMBL8980434

SCHEMBL8980434

CS(=O)(=O)OCC1CC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPD P32754 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8980332 0.87 SMN1; SMN2 (0.39) FLT1FLT4KDRSMN1; SMN2MEN1
SCHEMBL9191312 0.85 HPD (0.42) FLT1FLT4KDRSMN1; SMN2MEN1
SCHEMBL8980419 0.84 SMN1; SMN2 (0.43) FLT1FLT4KDRSMN1; SMN2MEN1
SCHEMBL8980327 0.82 CYP2C19 (0.40) FLT1FLT4KDRSMN1; SMN2MEN1
SCHEMBL8980451 0.82 CYP1A2 (0.45) SMN1; SMN2HPDHPGDCYP2C19CYP1A2
SCHEMBL9711555 0.75 HPGD (0.43) FLT1FLT4KDRSMN1; SMN2MEN1
SCHEMBL10584278 0.71 ALDH1A1 (0.44) FLT1FLT4KDRSMN1; SMN2MEN1
SCHEMBL9191354 0.70 HPD (0.67) FLT1FLT4KDRSMN1; SMN2MEN1
SCHEMBL10584273 0.70 HPD (0.44) FLT1FLT4KDRSMN1; SMN2MEN1
SCHEMBL9711492 0.70 HPD (0.43) FLT1FLT4KDRSMN1; SMN2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5504056-A Heterocyclic cyclohexanedione derivative, production thereof, and herbicide NIPPON SODA CO., LTD. (JP) 1996-04-02 US disclosed
EP-0641780-A1 HETEROCYCLIC CYCLOHEXANEDIONE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE NIPPON SODA CO., LTD. (JP) 1995-03-08 EP disclosed