SCHEMBL5841801

SCHEMBL5841801

CCc1c(N)cc2ccccc2c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ERN1 O75460 4/20 0.41
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1I2 O75469 1/20 0.38
HTR2A P28223 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GLO1 Q04760 1/20 0.36
PARP1 P09874 1/20 0.36
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL3269092 0.82 L3MBTL1 (0.43) L3MBTL1GAATDP1ERN1MAPT
SCHEMBL5840936 0.81 ERN1 (0.53) L3MBTL1GAATDP1ERN1MAPT
SCHEMBL5842138 0.79 ERN1 (0.48) L3MBTL1GAATDP1ERN1MAPT
SCHEMBL5841529 0.78 ERN1 (0.44) L3MBTL1GAATDP1ERN1MAPT
SCHEMBL26693033 0.78 ERN1 (0.47) L3MBTL1GAATDP1ERN1MAPT
SCHEMBL4657300 0.77 L3MBTL1 (0.40) L3MBTL1GAATDP1ERN1MAPT
SCHEMBL5843734 0.74 CYP1A2 (0.45) L3MBTL1GAATDP1ERN1MAPT
Alcohol SCHEMBL28156266 0.74 ERN1 (0.52) L3MBTL1GAATDP1ERN1MAPT
SCHEMBL342278 0.72 ERN1 (0.57) L3MBTL1GAATDP1ERN1MAPT
SCHEMBL29388184 0.72 ERN1 (0.57) L3MBTL1GAATDP1ERN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984716-B2 Phosphorus-containing compound CHANG CHUN PLASTICS CO., LTD. (TW) 2006-01-10 US disclosed
US-20040077825-A1 Phosphorus-containing compound CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-22 US disclosed