SCHEMBL21799982

SCHEMBL21799982

CC(C)C(C)CNCc1cccc(CN)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
NOS1 P29475 4/20 0.39
NOS2 P35228 4/20 0.39
NOS3 P29474 3/20 0.39
ALDH1A1 P00352 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
ADRB2 P07550 1/20 0.38
CA2 P00918 2/20 0.37
PRMT6 Q96LA8 1/20 0.37
LMNA P02545 1/20 0.36
BACE1 P56817 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
SCHEMBL21799981 0.86 CA2 (0.47) BCHEANPEPERAP2NOS1NOS2
SCHEMBL21799467 0.86 ANPEP (0.51) BCHEANPEPERAP2ALDH1A1LOXL2
SCHEMBL1425602 0.83 ALDH1A1 (0.51) BCHEANPEPERAP2NOS1NOS2
SCHEMBL16264578 0.83 BCHE (0.41) BCHEANPEPALDH1A1ADRB2CA2
SCHEMBL21799963 0.82 ADRB2 (0.40) BCHEANPEPERAP2NOS1NOS2
SCHEMBL13995729 0.81 DNM1 (0.50) BCHEALDH1A1CA2BACE1
SCHEMBL13995699 0.80 SLC2A4 (0.53) BCHECYP3A4NFKB1ENPP2LMNA
SCHEMBL13995702 0.80 SCN8A (0.47) BCHEANPEPNOS1BACE1
SCHEMBL21799668 0.80 ANPEP (0.40) BCHEANPEPERAP2NOS1NOS2
SCHEMBL30186883 0.80 LOXL2 (0.52) BCHENOS1NOS2NOS3ALDH1A1

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