SCHEMBL8935386

SCHEMBL8935386

CC(N)C(=O)NCc1ccc(OCc2ccsc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 8/20 0.51
PRMT6 Q96LA8 8/20 0.51
LTA4H P09960 1/20 0.48
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
KLKB1 P03952 1/20 0.43
FFAR1 O14842 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7398332 0.81 MAOB (0.61)
SCHEMBL9128520 0.81 MAOB (0.61)
SCHEMBL8935341 0.80 LTA4H (0.53) CARM1PRMT6LTA4H
SCHEMBL8935264 0.80 RAB9A (0.54) CARM1PRMT6LTA4H
SCHEMBL8935382 0.79 ALDH1A1 (0.46) LTA4HPARP15PARP10PARP3MEN1
SCHEMBL8935244 0.76 MAOB (0.69) PARP10
SCHEMBL14323980 0.76 MAOB (0.69) PARP10
SCHEMBL8935332 0.76 GID4 (0.62) CARM1PRMT6LTA4H
SCHEMBL8935268 0.76 MMP13 (0.58) CARM1PRMT6LTA4HKMT2A
SCHEMBL9201083 0.76 CARM1 (0.69) CARM1PRMT6MEN1KMT2A

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
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed