SCHEMBL9468024

SCHEMBL9468024

CC(c1ccccc1)c1cc(Cc2ccccc2)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TYR P14679 1/20 0.37
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
KDM4E B2RXH2 2/20 0.34
IDH1 O75874 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 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
SCHEMBL9468564 0.88 NPC1 (0.40) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL9468588 0.85 NPC1 (0.39) NPC1RAB9ALMNAPOLBTSHR
SCHEMBL466590 0.84 NPC1 (0.47) NPC1RAB9ALMNAPOLBTYR
SCHEMBL9183011 0.82 NPC1 (0.58) NPC1RAB9ALMNAPOLBTYR
SCHEMBL11620211 0.81 NPC1 (0.45) NPC1RAB9ALMNAPOLBTYR
SCHEMBL11615531 0.81 NPC1 (0.50) NPC1RAB9ALMNAPOLBTYR
SCHEMBL5668000 0.78 PTPN1 (0.50) NPC1RAB9ALMNAPOLBPTPN2
SCHEMBL26658049 0.76 NPC1 (0.46) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL14324336 0.75 IDH1 (0.44) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL887261 0.75 NPC1 (0.43) NPC1RAB9ALMNAPOLBKDM4E

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-5264406-A Alkali or alkaline metal hypophosphites with amines INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1993-11-23 US disclosed
US-5264541-A Nylon 6 synthesis with water, alkali metal hypophoshite catalyst and amine cocatalyst INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1993-11-23 US disclosed
US-5260246-A Comprising alkali metal/alkaline earth hypophosphites and amine or benzotriazole cocatalysts INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1993-11-09 US disclosed