SCHEMBL8932294

SCHEMBL8932294

C[C@H]1CCC[C@@H](c2ccccc2N)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MCHR1 Q99705 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 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
SCHEMBL8932290 1.00 GAA (0.39) GAAMEN1USP2KMT2ANOS3
SCHEMBL8786151 1.00 GAA (0.39) GAAMEN1USP2KMT2ANOS3
SCHEMBL1068978 0.82 NOS1 (0.41) GAANOS3NOS1NOS2ALDH1A1
SCHEMBL21568469 0.80 HTR2C (0.50) MEN1KMT2AALDH1A1
SCHEMBL4452435 0.79 KMT2A (0.42) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL18611824 0.79 KDM1A (0.43) GAAMEN1KMT2ANOS3NOS1
SCHEMBL1067058 0.78 KDM4E (0.44) GAANOS3NOS1NOS2ALDH1A1
SCHEMBL8932238 0.77 MEN1 (0.47) GAAMEN1USP2KMT2ANOS3
SCHEMBL17448625 0.77 PIM1 (0.38) MCHR1
SCHEMBL8786474 0.77 KDM4E (0.47) GAANOS3NOS1NOS2KDM4E

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
US-5498624-A PLANT FUNGICIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed