SCHEMBL28613745

SCHEMBL28613745

O=CN1CC(Nc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
CTSL P07711 1/20 0.38
CTSK P43235 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
RAD52 P43351 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL27965185 0.85 CTSL (0.47) ALDH1A1CARM1PRMT6CTSLCTSK
SCHEMBL27927468 0.81 CARM1 (0.51) ALDH1A1CARM1PRMT6CTSLCTSK
SCHEMBL21958711 0.78 MALT1 (0.46) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL12049585 0.75 CARM1 (0.49) ALDH1A1CARM1PRMT6MEN1KMT2A
SCHEMBL7339018 0.75 CARM1 (0.49) ALDH1A1CARM1PRMT6NFKB1NFKB2
SCHEMBL21856309 0.74 SPR (0.43) ALDH1A1CARM1PRMT6CTSLCTSK
SCHEMBL27965182 0.73 LTA4H (0.51) ALDH1A1CTSLCTSKLMNAMAPT
SCHEMBL12026516 0.72 CARM1 (0.42) ALDH1A1CARM1PRMT6NFKB1NFKB2
SCHEMBL236978 0.71 CARM1 (0.52) ALDH1A1CARM1PRMT6NFKB1NFKB2
SCHEMBL3696096 0.71 CARM1 (0.52) ALDH1A1CARM1PRMT6NFKB1NFKB2

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-113302183-A Cyclic ureas 圣瑞诺有限公司 2021-08-24 CN disclosed