SCHEMBL29922690

SCHEMBL29922690

Nc1cccc(NCC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
EPHX2 P34913 3/20 0.43
EPHX1 P07099 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
PTPN1 P18031 1/20 0.41
DDX3X O00571 1/20 0.41
ITK Q08881 1/20 0.40
CD38 P28907 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AOC1 P19801 1/20 0.38
AOC3 Q16853 1/20 0.38
LDHA P00338 1/20 0.38

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
SCHEMBL21799837 1.00 APP (0.44) APPEPHX2EPHX1MEN1KMT2A
SCHEMBL12204104 0.98 MEN1 (0.44) APPEPHX2EPHX1MEN1KMT2A
SCHEMBL11934757 0.85 PRKCQ (0.43) MEN1KMT2AKDM4ELMNAGAA
SCHEMBL13438643 0.85 PRKCQ (0.43) MEN1KMT2AKDM4ELMNAGAA
SCHEMBL13379511 0.82 DDB1 (0.43) APPEPHX2EPHX1RXFP1PTPN1
SCHEMBL16673467 0.81 MAPT (0.55) EPHX2EPHX1MEN1KMT2ALMNA
SCHEMBL3125649 0.81 MEN1 (0.55) EPHX2EPHX1MEN1KMT2ALMNA
SCHEMBL18977175 0.81 CARM1 (0.49) MEN1KMT2AKDM4ELMNAGAA
SCHEMBL21799807 0.80 NFE2L2 (0.46) APPEPHX2EPHX1MEN1KMT2A
SCHEMBL23845320 0.80 EPHX1 (0.57) APPEPHX2EPHX1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110603273-B Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2022-10-14 CN disclosed