SCHEMBL10772903

SCHEMBL10772903

COC(=NC(N)=O)c1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ LMNA P02545 6/20 0.51
▸ KMT2A Q03164 4/20 0.49
▸ ATM Q13315 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ TTR P02766 1/20 0.48
▸ PPOX P50336 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ LIPE Q05469 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ XBP1 P17861 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ FFAR1 O14842 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
SCHEMBL10775596 0.91 LMNA (0.51) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL10775901 0.90 LMNA (0.49) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL10772114 0.88 LMNA (0.50) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL10772766 0.87 SMN1; SMN2 (0.52) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL11455024 0.86 KMT2A (0.61) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL10775218 0.86 SMN1; SMN2 (0.58) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL10451997 0.85 LMNA (0.54) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL10772934 0.85 RAB9A (0.52) LMNAKMT2AMEN1TDP1TTR
SCHEMBL10515253 0.84 LMNA (0.55) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL10452504 0.83 KMT2A (0.69) SMN1; SMN2LMNAKMT2AATMMEN1

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-4690708-A Herbicides derived from aryloxybenzenecarboxylic acid imides RHONE-POULENC AGROCHIMIE (FR) 1987-09-01 — — US disclosed
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