SCHEMBL8698289

SCHEMBL8698289

CC12CCC(C(=O)C(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C1=O)C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
HPD P32754 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 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
SCHEMBL10384677 0.78 HPD (0.41) HPGDALDH1A1SMN1; SMN2POLBHPD
SCHEMBL9240067 0.77 HPD (0.46) HPGDALDH1A1SMN1; SMN2POLBHPD
SCHEMBL1132003 0.76 POLB (0.45) HPGDALDH1A1SMN1; SMN2POLBHPD
SCHEMBL9871935 0.75 SMN1; SMN2 (0.48) HPGDSMN1; SMN2POLBHPDCYP1A2
SCHEMBL8694806 0.75 HPGD (0.42) HPGDALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL8698285 0.75 HPGD (0.42) HPGDALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL8693826 0.74 SMN1; SMN2 (0.46) HPGDALDH1A1SMN1; SMN2HPDCYP1A2
SCHEMBL9814693 0.73 SMN1; SMN2 (0.44) HPGDALDH1A1SMN1; SMN2POLBHPD
SCHEMBL9874527 0.73 HPD (0.42) HPGDALDH1A1SMN1; SMN2POLBHPD
SCHEMBL9711504 0.73 SMN1; SMN2 (0.41) HPGDALDH1A1SMN1; SMN2POLBHPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801120-A HERBICIDES FOR CONTROLLING WEEDS SANDOZ LTD. (CH) 1998-09-01 US disclosed
US-5700762-A HERBICIDES SANDOZ LTD. (CH) 1997-12-23 US disclosed
US-5608101-A HERBICIDES NOVARTIS AG (CH) 1997-03-04 US disclosed
EP-0338992-A2 Substituted aryl and heteroaryl bicyclodiones SANDOZ AG (CH) 1989-10-25 EP disclosed