SCHEMBL9874527

SCHEMBL9874527

CC1(C)SCC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9240067 0.82 HPD (0.46) HPDSMN1; SMN2POLBHPGDCYP1A2
SCHEMBL9814693 0.80 SMN1; SMN2 (0.44) HPDSMN1; SMN2POLBHPGDCYP1A2
SCHEMBL1132003 0.79 POLB (0.45) HPDSMN1; SMN2POLBHPGDCYP1A2
SCHEMBL9871935 0.78 SMN1; SMN2 (0.48) HPDSMN1; SMN2POLBHPGDCYP1A2
SCHEMBL9191354 0.77 HPD (0.67) HPDSMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL9711461 0.76 HPD (0.42) HPDSMN1; SMN2POLBHPGDCYP1A2
SCHEMBL9711504 0.76 SMN1; SMN2 (0.41) HPDSMN1; SMN2POLBHPGDCYP1A2
SCHEMBL9711511 0.75 SMN1; SMN2 (0.43) HPDSMN1; SMN2POLBHPGDCYP1A2
SCHEMBL8011992 0.74 HPD (0.43) HPDSMN1; SMN2POLBHPGDCYP1A2
SCHEMBL8698289 0.73 HPGD (0.40) HPDSMN1; SMN2POLBHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006150-A Herbicides SANDOZ LTD. (CH) 1991-04-09 US disclosed