SCHEMBL8549181

SCHEMBL8549181

Cc1oc2ccc(NS(=O)(=O)N(C)C)cc2c1CCN(C)Cc1ccc2[nH]ncc2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.42
ROCK1 Q13464 3/20 0.42
MAPK1 P28482 2/20 0.36
PRMT6 Q96LA8 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DHODH Q02127 1/20 0.33
HPGD P15428 2/20 0.32
P2RX3 P56373 1/20 0.32

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
SCHEMBL7141725 0.85 ROCK2 (0.43) ROCK2ROCK1MAPK1PRMT6MEN1
SCHEMBL8552248 0.82 CNR1 (0.47) ROCK2ROCK1MEN1KMT2AHPGD
SCHEMBL8552802 0.81 ROCK1 (0.41) ROCK2ROCK1MEN1KMT2ADHODH
SCHEMBL8550959 0.80 KDM4E (0.39) ROCK2ROCK1KMT2A
SCHEMBL8550195 0.73 MEN1 (0.44) ROCK2ROCK1MEN1KMT2A
SCHEMBL8181951 0.67 CNR1 (0.49) ROCK2ROCK1MEN1KMT2AHPGD
SCHEMBL7138876 0.67 HTR1F (0.45) ROCK2ROCK1MEN1KMT2ADHODH
SCHEMBL8549583 0.66 HIF1A (0.39) MEN1KMT2A
SCHEMBL8550329 0.66 KDM4E (0.40) ROCK2ROCK1
SCHEMBL8548044 0.66 CNR1 (0.47) ROCK2ROCK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed