SCHEMBL7574566

SCHEMBL7574566

O=C(Nc1ccc(Cl)cc1)c1cc[c]cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.64
NPC1 O15118 3/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 4/20 0.59
NT5E P21589 1/20 0.59
KCNQ3 O43525 1/20 0.54
KCNQ2 O43526 1/20 0.54
KCNE1 P15382 1/20 0.54
KCNQ1 P51787 1/20 0.54
NAMPT P43490 1/20 0.54
LMNA P02545 1/20 0.54
MEN1 O00255 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
PRMT1 Q99873 1/20 0.53
MAPT P10636 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL2104947 0.93 NPC1 (0.65) MAPK1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9767723 0.86 NPC1 (0.76) MAPK1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL611657 0.86 NPC1 (0.76) MAPK1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4188342 0.86 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL10939703 0.86 NPC1 (0.76) MAPK1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL11410942 0.81 RAB9A (0.75) MAPK1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3193080 0.81 RAB9A (0.68) NPC1RAB9ASMN1; SMN2KMT2AKCNQ3
SCHEMBL27931869 0.81 POLB (0.75) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL5392875 0.81 HTT (0.62) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL483178 0.81 PTPN1 (0.66) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882730-B1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-10-02 EP disclosed
US-5985858-A TREATING AND PREVENTING HYPERLIPIDEMIA, DIABETES AND CATARACT, OR AS AN ANTITUMOR AGENT OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0882730-A1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-12-09 EP disclosed
EP-0407955-A1 New hetrazepines acting as PAF antagonists, process for their production and their use as drugs BOEHRINGER INGELHEIM KG (DE) 1991-01-16 EP disclosed