SCHEMBL28296061

SCHEMBL28296061

O=C(O)CNCc1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MGAM O43451 1/20 0.50
CYP1A2 P05177 2/20 0.49
RAB9A P51151 2/20 0.48
FAAH O00519 3/20 0.47
CFTR P13569 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL11569497 0.81 KDM1A (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2846347 0.80 MGAM (0.54) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3102896 0.80 MGAM (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29750532 0.80 MGAM (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL3867467 0.79 MGAM (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL6154350 0.78 KDM1A (0.51) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL894052 0.78 MAOA (0.51) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1037165 0.78 KDM1A (0.51) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL19864372 0.78 ATG4B (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4069176 0.78 CYP1A2 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7

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-109689676-B Novel compound 帝斯曼知识产权资产管理有限公司 2022-10-18 CN disclosed
CN-109689676-A New compound 帝斯曼知识产权资产管理有限公司 2019-04-26 CN disclosed