SCHEMBL9874864

SCHEMBL9874864

N=C(Nc1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
KCNK3 O14649 2/20 0.54
KCNK9 Q9NPC2 2/20 0.54
IDO1 P14902 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49

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
SCHEMBL1437377 0.91 NPC1 (0.65) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL2287569 0.80 MEN1 (0.64) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL641112 0.79 PARP1 (0.48) NPC1RAB9AMEN1HTTKMT2A
Hydrochloric Acid SCHEMBL15527640 0.79 MEN1 (0.62) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL3675463 0.78 KCNK3 (0.84) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL10974846 0.78 IDO1 (0.59) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL1437533 0.77 FADS1 (0.53) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL2952721 0.77 PARP1 (0.52) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL4093723 0.77 MEN1 (0.60) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL13584733 0.77 MEN1 (0.60) NPC1RAB9AMEN1LMNAMAPT

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-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed