SCHEMBL8309243

SCHEMBL8309243

N=C(Nc1ccc2c(c1)CC(NCc1ccc(-c3ccccc3)cc1)C2)C1=CC=CCC1=S

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTTP P55157 4/20 0.45
APOB P04114 2/20 0.45
SMO Q99835 8/20 0.44
HDAC1 Q13547 2/20 0.43
FYN P06241 1/20 0.41
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 2/20 0.35

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
SCHEMBL8309546 0.94 FYN (0.47) MTTPAPOBSMOHDAC1FYN
SCHEMBL8309596 0.89 SMO (0.38) MTTPAPOBSMOHDAC1FYN
SCHEMBL8310235 0.87 GRIN2B (0.49) MTTPAPOBSMOFYNRAB9A
SCHEMBL8306217 0.85 SMO (0.40) MTTPAPOBSMOFYN
SCHEMBL8309952 0.84 SMO (0.38) MTTPAPOBSMOFYN
SCHEMBL8306272 0.84 SMO (0.38) MTTPAPOBSMOFYNMEN1
SCHEMBL8307994 0.84 SMO (0.39) MTTPAPOBSMOMEN1KMT2A
SCHEMBL8307723 0.83 DRD2 (0.32) MTTPAPOBSMORAB9A
SCHEMBL8309245 0.79 SMO (0.32) MTTPAPOBSMO
SCHEMBL8305839 0.78 GRIN2B (0.38)

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