SCHEMBL9468564

SCHEMBL9468564

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.33
IDH1 O75874 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPN1 P18031 2/20 0.31
PTPN2 P17706 1/20 0.31
PTPN6 P29350 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9468024 0.88 NPC1 (0.41) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL9468655 0.85 NPC1 (0.45) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL9468588 0.85 NPC1 (0.39) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL947943 0.76 NPC1 (0.41) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL5668000 0.76 PTPN1 (0.50) NPC1RAB9ALMNAPOLBPTPN1
SCHEMBL26658049 0.74 NPC1 (0.46) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL14324336 0.73 IDH1 (0.44) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL887261 0.73 NPC1 (0.43) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL9408845 0.73 NPC1 (0.42) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL466590 0.72 NPC1 (0.47) 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