SCHEMBL21799452

SCHEMBL21799452

CCC(C)(C)CNCc1cccc(CN)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.38
NOS2 P35228 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NOS3 P29474 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 3/20 0.37
PRMT6 Q96LA8 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
PIM1 P11309 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL21800101 0.86 ANPEP (0.39) CYP3A4LOXL2CYP1A2CYP2D6CYP2C19
SCHEMBL21799902 0.85 PNMT (0.41) NOS1NOS2SMN1; SMN2ALDH1A1NOS3
SCHEMBL23474625 0.79 MEN1 (0.50) CYP3A4GAAMEN1KMT2A
SCHEMBL8500622 0.79 PNMT (0.45) NOS1NOS2SMN1; SMN2ALDH1A1NOS3
SCHEMBL834002 0.78 LOXL2 (0.52) NOS1NOS2SMN1; SMN2ALDH1A1NOS3
SCHEMBL30186883 0.78 LOXL2 (0.52) NOS1NOS2SMN1; SMN2ALDH1A1NOS3
SCHEMBL21799817 0.77 NOS1 (0.40) NOS1NOS2SMN1; SMN2ALDH1A1NOS3
SCHEMBL21799655 0.77 NOS1 (0.40) NOS1NOS2SMN1; SMN2ALDH1A1NOS3
SCHEMBL21799942 0.76 CYP1A2 (0.49) NOS1NOS2SMN1; SMN2ALDH1A1NOS3
SCHEMBL21799449 0.75 CHRM2 (0.40) NOS1NOS2SMN1; SMN2ALDH1A1NOS3

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