SCHEMBL8549554

SCHEMBL8549554

Cc1sc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2c1CCN(C)Cc1ccnc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.42
HTR1D P28221 4/20 0.42
HTR1B P28222 4/20 0.42
HTR1A P08908 3/20 0.42
HTR7 P34969 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 1/20 0.42
HTR2A P28223 1/20 0.41
BRD4 O60885 1/20 0.39
PRSS12 P56730 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8553359 0.84 HIF1A (0.42) HTR6HTTSMN1; SMN2MAPTMEN1
SCHEMBL7146842 0.84 BRD4 (0.47) HTR6HTR7HTR2BBRD4HTT
SCHEMBL8931396 0.78 BRD4 (0.48) HTR6HTR7HTR2BBRD4HTT
SCHEMBL8548267 0.74 KDM4E (0.41) HTTSMN1; SMN2MAPTKDM4EMEN1
SCHEMBL8554008 0.73 BRAF (0.30)
SCHEMBL8550889 0.73 HTR6 (0.38) HTR6SMN1; SMN2ALDH1A1LMNA
SCHEMBL12922863 0.63 BRD4 (0.50) HTR6BRD4HTTSMN1; SMN2KDM4E
SCHEMBL3064389 0.61 CES1 (0.54) SMN1; SMN2MAPTMEN1ALDH1A1LMNA
SCHEMBL8546895 0.61 MEN1 (0.43) HTR2CHTR2BHTTSMN1; SMN2MAPT
SCHEMBL8180841 0.61 HTR1F (0.44) HTR6SMN1; SMN2MAPTMEN1ALDH1A1

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
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed