SCHEMBL14404141

SCHEMBL14404141

C/C(=N\NC(=O)c1ccccc1)c1cc(C)ccc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.57
NPC1 O15118 9/20 0.57
SMN1; SMN2 Q16637 9/20 0.57
KDM1A O60341 2/20 0.54
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
CASP3 P42574 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
KDM4E B2RXH2 3/20 0.50

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
SCHEMBL14404174 0.87 MAPT (0.54) RAB9ANPC1SMN1; SMN2KDM1AMAPT
SCHEMBL14399689 0.85 KDM1A (0.74) RAB9ANPC1SMN1; SMN2KDM1AMAPT
SCHEMBL685005 0.85 KDM1A (0.74) RAB9ANPC1SMN1; SMN2KDM1AMAPT
SCHEMBL14404140 0.84 MAPT (0.53) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL14404175 0.83 ALDH1A1 (0.56) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL14404040 0.83 MAPT (0.45) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL27178213 0.78 SMN1; SMN2 (0.74) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL27178327 0.78 SMN1; SMN2 (0.74) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL27178219 0.78 SMN1; SMN2 (0.74) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL27178325 0.78 SMN1; SMN2 (0.74) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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
WO-2007116314-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES SCHERING-PLOUGH LTD. (US) 2007-10-18 WO disclosed