SCHEMBL24823218

SCHEMBL24823218

O=C(Cn1c2ccccc2c2cccnc21)NCC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.53
ENPP2 Q13822 1/20 0.51
CNR1 P21554 7/20 0.50
CNR2 P34972 7/20 0.50
P2RX7 Q99572 2/20 0.49
PANK1 Q8TE04 1/20 0.48
PANK3 Q9H999 1/20 0.48
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL24823207 0.87 HDAC6 (0.56) HDAC6P2RX7POLBALOX15SMN1; SMN2
SCHEMBL24822564 0.82 IDO1 (0.55) HDAC6CNR1CNR2P2RX7POLB
SCHEMBL3599795 0.78 HDAC6 (0.47) HDAC6P2RX7POLBALOX15SMN1; SMN2
SCHEMBL25768549 0.75 OPRK1 (0.48) HDAC6HDAC3HDAC1HDAC2
SCHEMBL24821363 0.75 MARK4 (0.55) HDAC6ENPP2POLBSMN1; SMN2HPGD
SCHEMBL24821298 0.75 HDAC3 (0.52) HDAC6POLBSMN1; SMN2HDAC3HDAC1
SCHEMBL24821186 0.74 KDM4E (0.67) HDAC6HDAC3HDAC1HDAC2
SCHEMBL24822452 0.73 TP53 (0.46) HDAC6POLBSMN1; SMN2HDAC3HDAC1
SCHEMBL30751912 0.73 KDM4E (0.51) HDAC6POLBHPGDHDAC3HDAC1
SCHEMBL24822498 0.72 TSHR (0.53) CNR2POLBSMN1; SMN2

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