SCHEMBL809711

SCHEMBL809711

c1ccc(C2CCN3CCCC3=N2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
ALPL P05186 2/20 0.40
TSHR P16473 2/20 0.40
ALPI P09923 1/20 0.40
ADRA2B P18089 1/20 0.40
DRD1 P21728 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
PMP22 Q01453 1/20 0.39
BLM P54132 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 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
SCHEMBL10455191 0.95 NOS1 (0.49) NOS1NOS2ALPLTSHRALPI
SCHEMBL10376372 0.85 ALPL (0.51) NOS1NOS2ALPLTSHRALPI
SCHEMBL10377977 0.80 ALPL (0.50) NOS1NOS2ALPLTSHRALPI
SCHEMBL8864671 0.69 ACHE (0.51) TSHRADRA2BKCNH2CYP2D6ALDH1A1
SCHEMBL21229670 0.67 INMT (0.41) NOS1NOS2BCHEACHEMEN1
SCHEMBL7876143 0.67 ALPL (0.47) ALPLTSHRALPIADRA2BDRD1
SCHEMBL10838935 0.66 KDM1A (0.39) ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL9511532 0.66 SLC18A3 (0.39) DRD1CYP1A2CYP2D6ALDH1A1LMNA
SCHEMBL8864841 0.65 ACHE (0.52) TSHRADRA2BKCNH2CYP2D6ALDH1A1
SCHEMBL10376551 0.64 RECQL (0.40) NOS1NOS2ALDH1A1LMNABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098567-B1 ACRYLIC RUBBER COMPOSITION AND VULCANIZATE THEREOF DENKI KAGAKU KOGYO KK (JP) 2011-11-16 EP disclosed
US-8012556-B2 Acrylic rubber composition and its vulcanized product DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2011-09-06 US disclosed
US-20100009105-A1 ACRYLIC RUBBER COMPOSITION AND VULCANIZED PRODUCT DENKI KAGAKU KIGYO KABUSHIKI KAISHA (JP) 2010-01-14 US disclosed
EP-2098567-A1 ACRYLIC RUBBER COMPOSITION AND VULCANIZATE THEREOF Denki Kagaku Kogyo Kabushiki Kaisha (JP) 2009-09-09 EP disclosed