SCHEMBL8079170

SCHEMBL8079170

C=C(C)C(=O)Nc1ncccn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
NLRP1 Q9C000 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.39
FFAR2 O15552 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
Sulfuric Acid SCHEMBL5242033 0.93 HTT (0.49) HTTLMNATDP1KDM4EMAPT
SCHEMBL28269774 0.78 L3MBTL1 (0.49) TDP1KDM4EMAPTNPC1RAB9A
SCHEMBL2491687 0.78 LMNA (0.63) HTTLMNAKDM4EALDH1A1KMT2A
SCHEMBL4461476 0.78 RXFP1 (0.42) HTTLMNATDP1KDM4EMAPT
SCHEMBL4360862 0.77 NPC1 (0.72) HTTLMNAKDM4EMAPTNPC1
SCHEMBL15293589 0.76 NPC1 (0.51) LMNATDP1RXFP1NPC1RAB9A
SCHEMBL17315853 0.76 RAB9A (0.59) HTTLMNAKDM4EMAPTNPC1
SCHEMBL11724643 0.76 LMNA (0.50) HTTLMNAKDM4ENPC1RAB9A
SCHEMBL8510246 0.74 NPC1 (0.51) HTTTDP1KDM4EMAPTNPC1
SCHEMBL10031570 0.74 L3MBTL1 (0.75) KDM4EMAPTALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1026182-A1 FOUR COMPONENT COPOLYMER AND THE OCULAR LENS MADE THEREOF SANTEN PHARMACEUTICAL CO., LTD (JP) 2000-08-09 EP disclosed