SCHEMBL28294734

SCHEMBL28294734

CC(C)CNc1ccc(N2CCN(CCOC=O)CC2)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD4 P21917 4/20 0.38
NPY2R P49146 3/20 0.35
KDM4E B2RXH2 1/20 0.35
DRD3 P35462 1/20 0.35
IDH1 O75874 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL28296408 0.83 LTA4H (0.43) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL28957487 0.81 GAA (0.43) LMNAGAAMEN1KMT2AALDH1A1
Ethoxycarbonyl Group SCHEMBL28294735 0.81 HRH4 (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL28873296 0.78 MAPT (0.50) LMNAGAAALDH1A1MAPTHSD17B10
SCHEMBL28294730 0.77 ALDH1A1 (0.53) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL28744942 0.75 L3MBTL1 (0.46) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL28294727 0.68 NR3C1 (0.42) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL23444657 0.68 XDH (0.46) LMNAGAAMEN1KMT2AALDH1A1
Ethoxycarbonyl Group SCHEMBL28296409 0.65 ALDH1A1 (0.41) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL6052407 0.65 GAA (0.60) LMNAGAAALDH1A1MAPTHSD17B10

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-109651297-A A kind of N- benzyl-N- aryl sulfonic acid amides analog derivative and preparation and application 杭州壹瑞医药科技有限公司 2019-04-19 CN disclosed