SCHEMBL9788475

SCHEMBL9788475

CCOC(=O)c1cccc(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.45
MAPT P10636 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.42
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL9788482 0.85 SMN1; SMN2 (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9788470 0.84 ELANE (0.48) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9788483 0.83 KIF11 (0.48) KIF11SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL9788472 0.81 SMN1; SMN2 (0.47) MAPTNPC1SMN1; SMN2LMNAKMT2A
SCHEMBL9788477 0.79 ALDH1A1 (0.47) MAPTNPC1SMN1; SMN2LMNAKMT2A
SCHEMBL9788478 0.79 ALDH1A1 (0.45) MAPTNPC1SMN1; SMN2LMNAKMT2A
SCHEMBL177854 0.77 KDM4E (0.67) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28165935 0.75 MAPT (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1264453 0.74 KMT2A (0.60) MAPTNPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2970880 0.74 SMN1; SMN2 (0.49) MAPTNPC1SMN1; SMN2LMNAKMT2A

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