SCHEMBL28997288

SCHEMBL28997288

N#CCC1CCC(=O)N1c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.39
NOTUM Q6P988 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MGLL Q99685 1/20 0.38
FPR2 P25090 1/20 0.33

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
SCHEMBL28997152 0.84 NOTUM (0.40) MEN1KMT2AALDH1A1NOTUMMGLL
SCHEMBL28997281 0.83 NOTUM (0.39) MEN1KMT2AALDH1A1NOTUMMGLL
SCHEMBL28997996 0.82 CCR1 (0.40) ALDH1A1NOTUMHDAC1HDAC8HDAC6
SCHEMBL28997140 0.80 PTGER2 (0.39) ALDH1A1NOTUM
SCHEMBL27972462 0.79 MEN1 (0.42) MEN1KMT2AALDH1A1NOTUMHDAC1
SCHEMBL28997146 0.78 MAPK1 (0.38) MEN1KMT2AALDH1A1NOTUM
SCHEMBL28997296 0.77 HTR7 (0.41) MEN1KMT2AALDH1A1HDAC1HDAC8
SCHEMBL28997149 0.76 FAAH (0.41) MEN1KMT2AALDH1A1HDAC1HDAC6
SCHEMBL30226089 0.76 FAAH (0.41) MEN1KMT2AALDH1A1HDAC1HDAC6
SCHEMBL27961003 0.75 NOTUM (0.42) MEN1KMT2ANOTUMHDAC1HDAC8

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-115894323-A Method for self-cyclizing cyanation of enaminoaniline compound 湖北工业大学 2023-04-04 CN disclosed