SCHEMBL30864183

SCHEMBL30864183

Nc1ccccc1NC(=O)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 11/20 0.72
HDAC1 Q13547 16/20 0.66
HDAC3 O15379 11/20 0.66
MAPK1 P28482 1/20 0.66
PTGS1 P23219 1/20 0.64
HDAC8 Q9BY41 6/20 0.64
HDAC6 Q9UBN7 6/20 0.64
HDAC4 P56524 4/20 0.64
HDAC7 Q8WUI4 4/20 0.64
HDAC10 Q969S8 4/20 0.64
HDAC11 Q96DB2 4/20 0.64
HDAC9 Q9UKV0 4/20 0.64
HDAC5 Q9UQL6 4/20 0.64
NCOR2 Q9Y618 1/20 0.63
POLB P06746 1/20 0.59
STAT3 P40763 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RAB9A P51151 1/20 0.59
PTK2 Q05397 1/20 0.56

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
SCHEMBL2828709 1.00 HDAC2 (0.72) HDAC2HDAC1HDAC3MAPK1PTGS1
SCHEMBL5187749 0.91 HDAC1 (0.74) HDAC2HDAC1HDAC3MAPK1PTGS1
SCHEMBL1060598 0.91 HDAC1 (0.79) HDAC2HDAC1HDAC3MAPK1PTGS1
SCHEMBL8401704 0.85 HDAC1 (0.89) HDAC2HDAC1HDAC3MAPK1PTGS1
SCHEMBL5224340 0.84 HDAC1 (0.61) HDAC2HDAC1HDAC3MAPK1PTGS1
SCHEMBL8352548 0.82 HDAC1 (0.66) HDAC2HDAC1HDAC3MAPK1PTGS1
SCHEMBL12841849 0.81 HDAC1 (0.76) HDAC2HDAC1HDAC3MAPK1PTGS1
SCHEMBL2074828 0.81 HDAC1 (0.65) HDAC2HDAC1HDAC3MAPK1PTGS1
SCHEMBL2411669 0.81 HDAC1 (0.69) HDAC2HDAC1HDAC3HDAC8HDAC6
Dinaline SCHEMBL29354254 0.80 HDAC1 (0.79) HDAC2HDAC1HDAC3MAPK1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777096-B Preparation method of ze Bei Nuosi his 江西师范大学 2026-05-19 CN disclosed
CN-117777096-A Preparation method of zee Bei Nuosi his 江西师范大学 2024-03-29 CN disclosed