SCHEMBL7693655

SCHEMBL7693655

C=CCNC(=O)c1cc(-c2c(Cl)c(C(F)(F)F)n(C)c2Cl)c(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 2/20 0.42
RAB9A P51151 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.35
APEX1 P27695 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
PPARG P37231 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL7694992 0.85 ALDH1A1 (0.36) HPGDPOLBRAB9AALDH1A1LMNA
SCHEMBL7692182 0.83 NPC1 (0.42) RAB9AMEN1KMT2ANPC1
SCHEMBL7694704 0.82 GAA (0.38) HPGDCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL7693582 0.81 POLB (0.37) HPGDCYP1A2POLBRAB9AALDH1A1
SCHEMBL7695299 0.81 POLB (0.33) HPGDPOLBAPEX1GAA
SCHEMBL7692295 0.77 GAA (0.40) HPGDCYP1A2CYP2C19POLBKMT2A
SCHEMBL7693006 0.77 LRRK2 (0.35) GAA
SCHEMBL7690005 0.75 TACR1 (0.33)
SCHEMBL7694743 0.75 GAA (0.38) HPGDCYP1A2CYP2C19LMNAGAA
SCHEMBL7689294 0.74 RORC (0.33) GAA

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
WO-2002070476-A1 PHENYLPYRROLES WITH A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2002-09-12 WO claimed
WO-2002070476-A1 PHENYLPYRROLES WITH A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2002-09-12 WO disclosed