SCHEMBL8713774

SCHEMBL8713774

CC1ON(C)C(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
CYP2C19 P33261 3/20 0.42
HPGD P15428 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.39
HPD P32754 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL998548 0.81 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C19HPGDCYP1A2CYP3A4
SCHEMBL9229472 0.77 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19HPGDCYP1A2CYP3A4
SCHEMBL9871935 0.77 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19HPGDCYP1A2CYP3A4
SCHEMBL9711611 0.77 HPD (0.49) SMN1; SMN2CYP2C19HPGDCYP1A2CYP3A4
SCHEMBL8712107 0.75 HPGD (0.46) SMN1; SMN2CYP2C19HPGDCYP1A2CYP3A4
SCHEMBL9711579 0.74 HPGD (0.41) SMN1; SMN2CYP2C19HPGDCYP1A2CYP3A4
SCHEMBL9711511 0.74 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C19HPGDCYP1A2CYP3A4
SCHEMBL9191354 0.74 HPD (0.67) SMN1; SMN2CYP2C19HPGDCYP1A2CYP3A4
SCHEMBL8985982 0.74 SMN1; SMN2 (0.42) SMN1; SMN2CYP2C19HPGDCYP1A2CYP3A4
SCHEMBL8985980 0.74 SMN1; SMN2 (0.42) SMN1; SMN2CYP2C19HPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780626-A HERBICIDES, ACARICIDES SANDOZ, LTD (CH) 1998-07-14 US disclosed
US-5728831-A DECARBOXYLATION OF ALKOXYCARBONYLOXOOXAZINES SANDOZ LTD. (CH) 1998-03-17 US disclosed
US-5565410-A 3-OXO-4-BENZOYL-5-OXY-2,3,4,6-TETRAHYDRO-1,2-OXAZINES; HERBICIDES; MITICIDES SANDOZ LTD. (CH) 1996-10-15 US disclosed
US-5336662-A Herbicides SANDOZ LTD. (CH) 1994-08-09 US disclosed
EP-0394889-B1 Heterocyclic diones as pesticides and plant growth regulators SANDOZ AG (CH) 1994-08-03 EP disclosed
EP-0394889-A2 Heterocyclic diones as pesticides and plant growth regulators SANDOZ AG (CH) 1990-10-31 EP disclosed