SCHEMBL30050486

SCHEMBL30050486

Cc1nc(N)ccc1NC(=O)c1cc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
TMIGD3 P0DMS9 4/20 0.53
ADORA1 P30542 4/20 0.53
STAT1 P42224 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
F10 P00742 1/20 0.53
DHPS P49366 1/20 0.50

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
SCHEMBL27208733 1.00 HDAC2 (0.54) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL12663172 0.79 HDAC2 (0.70) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL25422408 0.76 HDAC2 (0.55) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL30464306 0.76 HDAC2 (0.55) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL30069114 0.76 MAPT (0.57) HDAC2HDAC1HDAC3RAB9A
SCHEMBL24821505 0.76 MAPT (0.57) HDAC2HDAC1HDAC3RAB9A
SCHEMBL17552176 0.74 MAPT (0.59) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL15142368 0.74 KLKB1 (0.59) RAB9A
SCHEMBL21446806 0.74 HDAC1 (0.59) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL7712103 0.73 HDAC1 (0.62) HDAC2HDAC1HDAC3HDAC4HDAC7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115572285-B OCT4 high-selectivity activator 武汉睿健医药科技有限公司 2024-10-29 CN disclosed
EP-4361131-A1 OCT4 HIGH-SELECTIVITY ACTIVATOR Iregene Therapeutics Ltd (CN) 2024-05-01 EP disclosed
CN-115572256-A OCT4 high selectivity activator 武汉睿健医药科技有限公司 2023-01-06 CN disclosed
CN-115572285-A OCT4 high selectivity activator 武汉睿健医药科技有限公司 2023-01-06 CN disclosed
WO-2022266794-A1 OCT4 HIGH-SELECTIVITY ACTIVATOR 武汉睿健医药科技有限公司 2022-12-29 WO disclosed