SCHEMBL873631

SCHEMBL873631

Nc1ccc(C(c2ccc(N)c(N)c2-c2ccccc2)(C(F)(F)F)C(F)(F)F)c(-c2ccccc2)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.35
HSD17B10 Q99714 5/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ACHE P22303 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MLYCD O95822 1/20 0.33
KIF11 P52732 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
MAPK1 P28482 2/20 0.31

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
SCHEMBL4392007 0.85 L3MBTL1 (0.42) L3MBTL1POLBHSD17B10ALDH1A1KDM4E
SCHEMBL614879 0.74 ALDH1A1 (0.44) HSD17B10ALDH1A1MAPTKDM4EMEN1
SCHEMBL29799881 0.74 ALDH1A1 (0.44) HSD17B10ALDH1A1MAPTKDM4EMEN1
SCHEMBL4379379 0.70 L3MBTL1 (0.36) L3MBTL1POLBHSD17B10ALDH1A1MAPT
SCHEMBL5703623 0.70 MAOA (0.50) L3MBTL1HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL24129921 0.69 ACHE (0.44) L3MBTL1POLBHSD17B10KDM4EACHE
SCHEMBL31168188 0.69 HSD17B10 (0.50) POLBHSD17B10ALDH1A1MAPTMAOA
SCHEMBL3794847 0.69 CYP3A4 (0.46) L3MBTL1HSD17B10ALDH1A1MAPTKMT2A
SCHEMBL153531 0.69 HSD17B10 (0.50) POLBHSD17B10ALDH1A1MAPTMAOA
SCHEMBL8655007 0.69 CD44 (0.39) L3MBTL1POLBHSD17B10ALDH1A1MAPT

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
EP-2619267-A2 FLUORINE-CONTAINING ELASTOMER COMPOSITIONS SUITABLE FOR HIGH TEMPERATURE APPLICATIONS Greene, Tweed Of Delaware, Inc. (US) 2013-07-31 EP disclosed
WO-2012040250-A2 FLUORINE-CONTAINING ELASTOMER COMPOSITIONS SUITABLE FOR HIGH TEMPERATURE APPLICATIONS GREENE, TWEED OF DELAWARE, INC. (US) 2012-03-29 WO disclosed