SCHEMBL20258491

SCHEMBL20258491

CCc1ccc(N=Nc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
IDO1 P14902 2/20 0.44
PLAU P00749 1/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
MAPT P10636 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C9 P11712 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GRIN2D O15399 2/20 0.37

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
SCHEMBL139408 0.87 L3MBTL1 (0.56) L3MBTL1TDP1MAPK1TSHRATM
SCHEMBL24212689 0.84 PLAU (0.56) L3MBTL1TDP1MAPK1TSHRATM
SCHEMBL13638200 0.84 PLAU (0.56) L3MBTL1TDP1MAPK1TSHRATM
SCHEMBL20251140 0.84 RAB9A (0.50) L3MBTL1TDP1MAPK1IDO1NOS3
SCHEMBL20251135 0.84 RAB9A (0.50) L3MBTL1TDP1MAPK1IDO1NOS3
Hydrogen Peroxide SCHEMBL6280050 0.82 L3MBTL1 (0.52) L3MBTL1TDP1MAPK1TSHRATM
SCHEMBL25565017 0.82 PTGS1 (0.47) TSHRIDO1CYP2C9
SCHEMBL8674507 0.80 TSHR (0.53) L3MBTL1TDP1MAPK1TSHRATM
SCHEMBL25567556 0.79 PLAU (0.44) TSHRPLAUCYP2C9ALDH1A1GRIN2D
Isopropylbenzene SCHEMBL7651427 0.78 TP53 (0.56) L3MBTL1TDP1MAPK1TSHRATM

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
US-20180163135-A1 LIQUID CRYSTAL POLYMERIZED FILMS USING ALIGNMENT FILM AND POLYMERIZABLE LIQUID CRYSTAL COMPOSTION JNC CORPORATION (JP) 2018-06-14 US disclosed