SCHEMBL8309952

SCHEMBL8309952

N=C(Nc1ccc2c(c1)CC(NCc1cccc(Br)c1)C2)C1=CC=CCC1=S

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 11/20 0.38
CARM1 Q86X55 2/20 0.37
PRMT6 Q96LA8 2/20 0.37
MTTP P55157 7/20 0.37
APOB P04114 2/20 0.37
PRMT8 Q9NR22 1/20 0.36
FYN P06241 1/20 0.36
KDM1A O60341 1/20 0.33
F10 P00742 1/20 0.32
F7 P08709 1/20 0.32
L3MBTL3 Q96JM7 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
SCHEMBL8306217 0.90 SMO (0.40) SMOMTTPAPOBFYN
SCHEMBL8309546 0.89 FYN (0.47) SMOMTTPAPOBFYN
SCHEMBL8306272 0.89 SMO (0.38) SMOCARM1PRMT6MTTPAPOB
SCHEMBL8309596 0.85 SMO (0.38) SMOMTTPAPOBFYN
SCHEMBL8309243 0.84 MTTP (0.45) SMOMTTPAPOBFYN
SCHEMBL8310235 0.82 GRIN2B (0.49) SMOMTTPAPOBFYN
SCHEMBL8305839 0.82 GRIN2B (0.38) CARM1PRMT6
SCHEMBL8307723 0.82 DRD2 (0.32) SMOMTTPAPOB
SCHEMBL8307994 0.81 SMO (0.39) SMOMTTPAPOB
SCHEMBL8307619 0.77 MTTP (0.41) SMOCARM1PRMT6MTTPAPOB

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-0759027-B1 BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE ASTRA AB (SE) 1999-08-04 EP claimed