SCHEMBL7774453

SCHEMBL7774453

ONc1ccc2ncccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.67
POLB P06746 3/20 0.67
MAPT P10636 2/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
PABPC1 P11940 1/20 0.58
RAB9A P51151 7/20 0.57
ALDH1A1 P00352 5/20 0.53
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
CASP1 P29466 1/20 0.53
ATM Q13315 1/20 0.53
HDAC6 Q9UBN7 1/20 0.52
CASP3 P42574 1/20 0.51

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
SCHEMBL31084267 1.00 NPC1 (0.67) NPC1POLBMAPTMEN1KMT2A
SCHEMBL3155590 0.81 NPC1 (0.62) NPC1POLBMAPTMEN1KMT2A
SCHEMBL7262444 0.81 NPC1 (0.62) NPC1POLBMAPTMEN1KMT2A
SCHEMBL31054249 0.80 NPC1 (1.00) NPC1POLBMAPTMEN1KMT2A
SCHEMBL651929 0.80 NPC1 (1.00) NPC1POLBMAPTMEN1KMT2A
SCHEMBL13891775 0.80 NPC1 (0.71) NPC1POLBMAPTMEN1KMT2A
SCHEMBL5758552 0.79 NPC1 (0.60) NPC1POLBMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1521509 0.79 NPC1 (0.60) NPC1POLBMAPTMEN1KMT2A
SCHEMBL9702763 0.79 NPC1 (0.59) NPC1POLBMAPTMEN1KMT2A
SCHEMBL30741445 0.79 NPC1 (0.79) NPC1POLBMAPTMEN1KMT2A

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
EP-1037873-B1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES CONSORTIUM ELEKTROCHEM IND (DE) 2001-08-22 EP disclosed
EP-1037873-A1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES Consortium für elektrochemische Industrie GmbH (DE) 2000-09-27 EP disclosed
WO-1999028289-A1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES Consortium für elektrochemische Industrie GmbH (DE) 1999-06-10 WO disclosed