SCHEMBL24822425

SCHEMBL24822425

NCCCCCCNC(=O)Cn1c2ccccc2c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.59
GRIN2A Q12879 3/20 0.59
GRIN2B Q13224 3/20 0.59
CNR2 P34972 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GHSR Q92847 9/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45

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
SCHEMBL24823213 0.86 CNR2 (0.53) GRIN1GRIN2AGRIN2BCNR2KDM4E
SCHEMBL28316256 0.76 GRIN1 (0.48) GRIN1GRIN2AGRIN2BKDM4E
SCHEMBL4168685 0.75 GRIN1 (0.44) GRIN1GRIN2AGRIN2BGHSR
SCHEMBL31160335 0.75 KDM4E (0.61) KDM4EHDAC1HDAC6
SCHEMBL28044712 0.75 KDM4E (0.61) KDM4EHDAC1HDAC6
SCHEMBL30632384 0.74 PKM (0.58) KDM4ECA12CA1CA2CA9
SCHEMBL24822498 0.72 TSHR (0.53) CNR2
SCHEMBL8758273 0.71 MAOA (0.59) GRIN1GRIN2AGRIN2BHDAC1HDAC6
SCHEMBL4381790 0.71 HDAC6 (0.56) CNR2KDM4EHDAC1HDAC6
SCHEMBL12602893 0.70 GRIN1 (1.00) GRIN1GRIN2AGRIN2BCA12CA1

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
WO-2022268066-A1 PROTEIN DEGRADATION AGENT 苏州开拓药业股份有限公司 2022-12-29 WO disclosed