SCHEMBL28997281

SCHEMBL28997281

Cc1ccccc1N1C(=O)CCC1CC#N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MGLL Q99685 1/20 0.38
ADRA1B P35368 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.37
ALOX5 P09917 2/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL28997146 0.89 MAPK1 (0.38) NOTUMMEN1KMT2AMAPTALDH1A1
SCHEMBL28997152 0.84 NOTUM (0.40) NOTUMMEN1KMT2AALDH1A1MGLL
SCHEMBL28997288 0.83 MEN1 (0.41) NOTUMMEN1KMT2AALDH1A1MGLL
SCHEMBL28997140 0.80 PTGER2 (0.39) NOTUMMAPTKDM4EALDH1A1
SCHEMBL28997292 0.77 PTGER2 (0.40) MEN1KMT2AALDH1A1LMNAMGLL
SCHEMBL28997996 0.76 CCR1 (0.40) NOTUMALDH1A1
SCHEMBL28997289 0.74 HSP90AA1 (0.35) KMT2AL3MBTL1NPSR1SMN1; SMN2
SCHEMBL4644618 0.74 NOTUM (0.46) NOTUMMEN1KMT2AMAPTKDM4E
SCHEMBL30226008 0.74 AR (0.44) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28997299 0.74 AR (0.44) MEN1KMT2AMAPTKDM4EALDH1A1

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