SCHEMBL8977902

SCHEMBL8977902

CN(C)c1ccc(Nc2cc(Cl)c(O)cc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
MAPT P10636 8/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
LMNA P02545 4/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.42
TP53 P04637 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL8977973 0.81 AMY1A (0.45) NPC1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL8977999 0.80 NPC1 (0.46) NPC1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL9479616 0.70 ALDH1A1 (0.65) NPC1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL222247 0.70 ALDH1A1 (0.65) NPC1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL24459914 0.69 GAA (0.47) NPC1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL3893822 0.69 APP (0.57) NPC1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL11441737 0.69 ALDH1A1 (0.50) NPC1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3212678 0.69 HSD17B10 (0.50) NPC1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11330823 0.69 ALDH1A1 (0.41) NPC1MAPTSMN1; SMN2KMT2ARAB9A
Hydrochloric Acid SCHEMBL11738417 0.67 APP (0.55) NPC1MAPTSMN1; SMN2KMT2ARAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525480-A USED FOR DETERMINATION OF HYDROLASES; COLORIMETRIC ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1996-06-11 US disclosed
US-5334505-A For colorimetric determination of hydrolases BOEHRINGER MANNHEIM GMBH (DE) 1994-08-02 US disclosed
EP-0433855-A2 N- and O-substituted aminophenol derivatives, intermediates for their preparation, their use as hydrolase substrates, a corresponding assay and diagnostic agents Roche Diagnostics GmbH (DE) 1991-06-26 EP disclosed