SCHEMBL30185528

SCHEMBL30185528

COC(=O)c1ccc2c(ccn2Cc2ccccc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.52
HDAC8 Q9BY41 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 3/20 0.46
PPARG P37231 8/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
APOBEC3A P31941 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
APOBEC3G Q9HC16 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
SCHEMBL28568252 1.00 MAPT (0.52) MAPTLMNAHDAC8HDAC6HDAC11
SCHEMBL28566459 0.87 PLAU (0.52) MAPTLMNAHDAC8HDAC6HDAC11
SCHEMBL30185536 0.87 PLAU (0.52) MAPTLMNAHDAC8HDAC6HDAC11
SCHEMBL28565969 0.86 PPARG (0.53) LMNAPPARGPOLBSMN1; SMN2
SCHEMBL28565911 0.85 KDM4E (0.47) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL30185506 0.85 KDM4E (0.47) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL28573940 0.84 HDAC8 (0.46) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL3109875 0.84 HDAC6 (0.61) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL28573548 0.83 HSP90AA1 (0.47) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL30185509 0.83 HSP90AA1 (0.47) HDAC8HDAC6HDAC11HDAC3HDAC1

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