SCHEMBL30185538

SCHEMBL30185538

COC(=O)c1ccc2c(ccn2Cc2c(Cl)cccc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.52
HDAC8 Q9BY41 8/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC3 O15379 8/20 0.51
HDAC1 Q13547 8/20 0.51
HDAC2 Q92769 8/20 0.51
HDAC10 Q969S8 5/20 0.51
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
APOBEC3A P31941 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
EPHX2 P34913 1/20 0.45
PLAU P00749 2/20 0.44
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL28580014 1.00 HDAC6 (0.52) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL30185536 0.87 PLAU (0.52) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL28566459 0.87 PLAU (0.52) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL28576841 0.85 SLC22A12 (0.50) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL3109875 0.84 HDAC6 (0.61) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL6086357 0.82 HDAC6 (0.65) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL30185520 0.82 HDAC6 (0.65) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL13699049 0.82 KDM4E (0.55) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL5881976 0.81 PLAU (0.57) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL28582440 0.80 HDAC6 (0.78) HDAC6HDAC8HDAC11HDAC3HDAC1

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-112759541-B Indole-like derivatives and uses thereof 复旦大学 2023-03-17 CN disclosed