SCHEMBL21799796

SCHEMBL21799796

CCC(C)C(C)NCc1cccc(CN)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.38
NOS2 P35228 4/20 0.38
ALDH1A1 P00352 3/20 0.38
NOS3 P29474 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
PNMT P11086 1/20 0.38
ENPP2 Q13822 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.37
CYP2D6 P10635 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC2A1 P11166 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
CA2 P00918 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL21799762 0.86 TPSAB1 (0.39) ALDH1A1SMN1; SMN2LOXL2CYP2D6SIGMAR1
SCHEMBL21799917 0.85 PNMT (0.41) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL13200686 0.83 CA2 (0.47) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL18811757 0.82 ALDH1A1 (0.55) ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL21799954 0.81 PNMT (0.41) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL8063337 0.81 SLC2A1 (0.50) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL21799590 0.81 NOS1 (0.38) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL14748112 0.79 SIGMAR1 (0.55) ALDH1A1SMN1; SMN2CYP3A4CYP2D6MEN1
SCHEMBL13813305 0.79 SIGMAR1 (0.55) ALDH1A1SMN1; SMN2CYP3A4CYP2D6MEN1
SCHEMBL21800053 0.77 ALDH1A1 (0.43) NOS1NOS2ALDH1A1NOS3SMN1; SMN2

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