SCHEMBL8489206

SCHEMBL8489206

O=C(c1ccc(Cl)cc1[N+](=O)[O-])c1cnoc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 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
SCHEMBL8488384 0.86 MAPT (0.38) ALDH1A1MAPT
SCHEMBL8492700 0.86 MAPK1 (0.36) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL8489087 0.86 HTT (0.41) SMN1; SMN2ALDH1A1POLBCYP2C19CYP1A2
SCHEMBL8492588 0.84 HPD (0.51) ALDH1A1POLBCYP2C19CYP1A2CYP3A4
SCHEMBL8492606 0.83 HPD (0.40) ALDH1A1CYP2C19CYP1A2CYP3A4HPGD
SCHEMBL8493348 0.83 MEN1 (0.41) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL8492872 0.83 DHODH (0.33) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL8494532 0.83 DHODH (0.49) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL8045057 0.83 DHODH (0.35) SMN1; SMN2ALDH1A1POLBHTTMAPT
SCHEMBL8495049 0.83 POLB (0.51) SMN1; SMN2ALDH1A1POLBCYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
WO-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed