SCHEMBL9788482

SCHEMBL9788482

CCOC(=O)c1cccc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
CRHBP P24387 1/20 0.44
RAB9A P51151 1/20 0.44
CRHR2 Q13324 1/20 0.44
F10 P00742 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL9788472 0.93 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL9788475 0.85 KIF11 (0.45) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL9788483 0.83 KIF11 (0.48) SMN1; SMN2LMNAALDH1A1KMT2APOLB
Bicarbonate SCHEMBL27719024 0.81 KIF11 (0.52) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL27715340 0.81 MAPT (0.53) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL9788477 0.79 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL9788478 0.79 ALDH1A1 (0.45) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL28165935 0.78 MAPT (0.51) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL2970880 0.77 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL9788460 0.77 MEN1 (0.51) SMN1; SMN2LMNAALDH1A1KMT2APOLB

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
US-5026895-A For cultivated plants BUDAPESTI VEGYIMUVEK (HU) 1991-06-25 US claimed
US-5026895-A For cultivated plants BUDAPESTI VEGYIMUVEK (HU) 1991-06-25 US disclosed