SCHEMBL9536239

SCHEMBL9536239

NC(=O)N(c1nc2c(c(C(F)(F)F)n1)CCC2)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
ACHE P22303 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.32
P2RX1 P51575 1/20 0.32
BCHE P06276 1/20 0.32
POLB P06746 2/20 0.31
TSHR P16473 1/20 0.31
HPD P32754 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9536988 0.98 SMN1; SMN2 (0.37) SMN1; SMN2HSD17B10ALDH1A1CYP2D6KMT2A
SCHEMBL10400747 0.93 KMT2A (0.33) HSD17B10ALDH1A1CYP2D6KMT2APDE4B
SCHEMBL10401012 0.91 KMT2A (0.35) SMN1; SMN2HSD17B10ALDH1A1CYP2D6KMT2A
SCHEMBL10401077 0.86 PDE4B (0.41) SMN1; SMN2ALDH1A1KMT2APDE4BPDE4D
SCHEMBL10400129 0.86 MAPT (0.44) HSD17B10ALDH1A1KMT2APDE4BPDE4D
SCHEMBL10400076 0.85 SMN1; SMN2 (0.33) SMN1; SMN2HSD17B10ALDH1A1CYP2D6KMT2A
SCHEMBL9538333 0.85 TP53 (0.36) SMN1; SMN2HSD17B10ALDH1A1CYP2D6ACHE
SCHEMBL10401051 0.84 PDE4B (0.35) HSD17B10CYP2D6KMT2APDE4BPDE4D
SCHEMBL9537774 0.84 PDE4B (0.41) PDE4BPDE4DACHEPOLBPDK1
SCHEMBL9536816 0.83 SMN1; SMN2 (0.35) SMN1; SMN2HSD17B10ALDH1A1KMT2APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337944-B1 UREAS CIBA-GEIGY AG (CH) 1993-07-28 EP disclosed
EP-0337944-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP disclosed