SCHEMBL5556476

SCHEMBL5556476

CCN(CCC#N)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
CNR2 P34972 3/20 0.40
MAPK1 P28482 2/20 0.39
PSMD14 O00487 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL11054024 0.90 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPSR1HSD17B10NPC1
SCHEMBL10979411 0.84 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NPSR1HSD17B10NPC1
SCHEMBL11225008 0.84 ALDH1A1 (0.41) ALDH1A1NPSR1CNR2MAPK1PSMD14
SCHEMBL6555127 0.83 ALDH1A1 (0.38) ALDH1A1NPSR1HSD17B10MAPK1PSMD14
SCHEMBL150182 0.83 TSHR (0.50) ALDH1A1SMN1; SMN2NPSR1HSD17B10NPC1
SCHEMBL26242334 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPSR1HSD17B10NPC1
SCHEMBL3895327 0.82 GRK6 (0.41) ALDH1A1NPSR1CNR2MAPK1PSMD14
Methane SCHEMBL27491555 0.81 USP2 (0.50) ALDH1A1SMN1; SMN2NPSR1HSD17B10LMNA
SCHEMBL14148379 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HSD17B10NPC1LMNA
SCHEMBL8722764 0.81 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NPSR1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1803034-A2 HOLOGRAPHIC STORAGE MEDIUM General Electric Company (US) 2007-07-04 EP disclosed
WO-2006044243-A2 HOLOGRAPHIC STORAGE MEDIUM GENERAL ELECTRIC COMPANY A CORPORATION OF THE STATE OF NEW YORK (US) 2006-04-27 WO disclosed
US-4180503-A FOR DYEING POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-12-25 US disclosed