SCHEMBL8980419

SCHEMBL8980419

O=C1CC(CO)OC(=O)C1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HPD P32754 1/20 0.42
CYP2C19 P33261 3/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37

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 0.86 SMN1; SMN2 (0.39) SMN1; SMN2HPDCYP2C19HPGDCYP1A2
SCHEMBL8980434 0.84 FLT1 (0.39) SMN1; SMN2HPDCYP2C19HPGDCYP1A2
SCHEMBL8980451 0.83 CYP1A2 (0.45) SMN1; SMN2HPDCYP2C19HPGDCYP1A2
SCHEMBL9711555 0.81 HPGD (0.43) SMN1; SMN2HPDCYP2C19HPGDCYP1A2
SCHEMBL9191354 0.76 HPD (0.67) SMN1; SMN2HPDCYP2C19HPGDCYP1A2
SCHEMBL9234637 0.76 SMN1; SMN2 (0.45) SMN1; SMN2HPDCYP2C19HPGDCYP1A2
SCHEMBL9595309 0.74 HPD (0.44) SMN1; SMN2HPDCYP2C19HPGDCYP1A2
SCHEMBL9711617 0.74 HPGD (0.47) SMN1; SMN2HPDCYP2C19HPGDCYP1A2
SCHEMBL9711492 0.73 HPD (0.43) SMN1; SMN2HPDCYP2C19HPGDCYP1A2
SCHEMBL10584278 0.73 ALDH1A1 (0.44) SMN1; SMN2HPDCYP2C19HPGDCYP1A2

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