SCHEMBL6498189

SCHEMBL6498189

O=C1C=CC(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.62
AR P10275 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
CYP3A4 P08684 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
CYP1A2 P05177 2/20 0.62
PGR P06401 2/20 0.62
CYP2C9 P11712 2/20 0.62
TSHR P16473 2/20 0.62
CYP2C19 P33261 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TP53 P04637 1/20 0.62
CYP2D6 P10635 1/20 0.62
ALOX12 P18054 1/20 0.62
NFKB1 P19838 1/20 0.62
RAB9A P51151 1/20 0.62
PDE4D Q08499 1/20 0.62
SIRT6 Q8N6T7 1/20 0.57
POLB P06746 1/20 0.51

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
SCHEMBL960384 0.84 LMNA (0.61) LMNAARSMN1; SMN2CYP3A4NPSR1
SCHEMBL11623150 0.81 LMNA (0.58) LMNAARSMN1; SMN2CYP3A4NPSR1
SCHEMBL6140977 0.81 KMT2A (0.58) LMNAARSMN1; SMN2CYP3A4NPSR1
SCHEMBL10664728 0.80 CCR6 (0.64) CYP3A4NPSR1TSHRCCR6HPN
SCHEMBL10666460 0.80 CCR6 (0.54) LMNAARSMN1; SMN2CYP3A4NPSR1
SCHEMBL22288743 0.79 AR (0.65) LMNAARSMN1; SMN2CYP3A4NPSR1
SCHEMBL3188776 0.78 ALDH1A1 (0.57) LMNAARSMN1; SMN2CYP3A4NPSR1
SCHEMBL5922705 0.77 LMNA (0.54) LMNAARSMN1; SMN2CYP3A4NPSR1
SCHEMBL3194814 0.77 LMNA (0.54) LMNAARSMN1; SMN2CYP3A4NPSR1
SCHEMBL4026041 0.77 AR (0.70) LMNAARSMN1; SMN2CYP3A4NPSR1

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-6861432-B2 Piperazine derivatives that destabilize androgen receptors SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US disclosed