SCHEMBL30944290

SCHEMBL30944290

CC12CCCC(C(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)(CCC1)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.62
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CSNK1D P48730 5/20 0.52
WNT3A P56704 1/20 0.49
ACP1 P24666 1/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 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
SCHEMBL28520293 1.00 DYRK1A (0.62) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL30944289 0.89 NPC1 (0.49) DYRK1ACSNK1DNPC1RAB9ACYP1A2
SCHEMBL28522084 0.89 NPC1 (0.49) DYRK1ACSNK1DNPC1RAB9ACYP1A2
SCHEMBL31236386 0.87 DYRK1A (0.60) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL28518076 0.87 DYRK1A (0.60) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL28530232 0.85 NPC1 (0.59) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL30944285 0.85 DYRK1A (0.60) DYRK1ACSNK1DACP1NPC1RAB9A
SCHEMBL28530536 0.85 DYRK1A (0.60) DYRK1ACSNK1DACP1NPC1RAB9A
SCHEMBL30944343 0.85 DYRK1A (0.69) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL28521697 0.85 DYRK1A (0.69) DYRK1AHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3758697-B1 NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES CRESTONE INC (US) 2024-10-16 EP claimed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 CN claimed
CN-118772080-A Antimycobacterial heterocyclic amides 克莱斯通公司 2024-10-15 CN disclosed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 CN disclosed