SCHEMBL8309546

SCHEMBL8309546

N=C(Nc1ccc2c(c1)CC(NCc1ccccc1)C2)C1=CC=CCC1=S

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.47
MTTP P55157 2/20 0.45
APOB P04114 1/20 0.45
SMO Q99835 7/20 0.44
GRIN2B Q13224 4/20 0.39
HDAC1 Q13547 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
DRD2 P14416 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
SCHEMBL8309243 0.94 MTTP (0.45) FYNMTTPAPOBSMOHDAC1
SCHEMBL8310235 0.92 GRIN2B (0.49) FYNMTTPAPOBSMOGRIN2B
SCHEMBL8309596 0.91 SMO (0.38) FYNMTTPAPOBSMOHDAC1
SCHEMBL8306217 0.90 SMO (0.40) FYNMTTPAPOBSMO
SCHEMBL8309952 0.89 SMO (0.38) FYNMTTPAPOBSMO
SCHEMBL8306272 0.89 SMO (0.38) FYNMTTPAPOBSMO
SCHEMBL8307994 0.87 SMO (0.39) MTTPAPOBSMO
SCHEMBL8307723 0.86 DRD2 (0.32) MTTPAPOBSMORAB9ADRD2
SCHEMBL8305839 0.82 GRIN2B (0.38) GRIN2BDRD2
SCHEMBL8309245 0.82 SMO (0.32) MTTPAPOBSMO

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