SCHEMBL7976268

SCHEMBL7976268

O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 6/20 0.52
KMT2A Q03164 6/20 0.52
HTT P42858 5/20 0.52
GAA P10253 5/20 0.52
MEN1 O00255 5/20 0.52
POLB P06746 1/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
THRB P10828 1/20 0.47
ALOX12 P18054 1/20 0.46
HPGD P15428 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL7965920 0.89 MAPT (0.50) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL7976271 0.85 MAPT (0.49) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL7965745 0.85 MAPT (0.35) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL7979279 0.85 MAPT (0.36) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL7982287 0.85 HDAC1 (0.36) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8408424 0.82 HTT (0.38) SMN1; SMN2LMNAHTTALDH1A1THRB
SCHEMBL8632790 0.80 LMNA (0.46) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8659999 0.79 HTT (0.37) HTTTHRB
SCHEMBL8631007 0.79 RHOC (0.38) SMN1; SMN2LMNAHTTALDH1A1HPGD
SCHEMBL7073001 0.78 PRKAB2 (0.38) MAPTSMN1; SMN2RAB9ANPC1LMNA

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-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed