SCHEMBL21799743

SCHEMBL21799743

CC(C)CC(C)NCc1cccc(CN)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2D6 P10635 2/20 0.44
NOS1 P29475 3/20 0.39
NOS2 P35228 3/20 0.39
NOS3 P29474 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
ENPP2 Q13822 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC2A1 P11166 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL21799771 0.86 ALDH1A1 (0.62) ALDH1A1SIGMAR1LOXL2
SCHEMBL13200686 0.85 CA2 (0.47) ALDH1A1SIGMAR1CYP2D6NOS1NOS2
SCHEMBL8063337 0.82 SLC2A1 (0.50) ALDH1A1SIGMAR1CYP2D6NOS1NOS2
SCHEMBL21800053 0.82 ALDH1A1 (0.43) ALDH1A1SIGMAR1CYP2D6NOS1NOS2
SCHEMBL172627 0.80 PNMT (0.50) ALDH1A1SIGMAR1CYP2D6CYP3A4PNMT
SCHEMBL13995789 0.80 ALDH1A1 (0.51) ALDH1A1SIGMAR1CYP2D6
SCHEMBL13995686 0.80 MAPK1 (0.51) ALDH1A1SIGMAR1CYP2D6CYP3A4NFKB1
SCHEMBL13995683 0.80 PNMT (0.50) ALDH1A1SIGMAR1CYP2D6CYP3A4PNMT
SCHEMBL21799936 0.80 ALDH1A1 (0.41) ALDH1A1SIGMAR1CYP2D6NOS1NOS2
SCHEMBL21799917 0.79 PNMT (0.41) ALDH1A1SIGMAR1CYP2D6NOS1NOS2

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
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP disclosed