SCHEMBL9759341

SCHEMBL9759341

CCCNC(=S)c1ccc2c(c1OC(=O)/C=C/C(=O)Oc1c(C(=S)NCCC)ccc3c1N(C(C)CN1CC=CC1)c1ccccc1S3)N(C(C)CN1CC=CC1)c1ccccc1S2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL9759623 0.90 KMT2A (0.38) BCHEACHE
SCHEMBL9758786 0.83 KMT2A (0.39) BCHEHPGDACHE
SCHEMBL9759300 0.81 FPR2 (0.35) BCHEACHE
SCHEMBL9784916 0.79 BCHE (0.39) BCHENPSR1MAPTGAAPOLB
Fumaric Acid SCHEMBL9759360 0.78 BCHE (0.39) BCHENPSR1MAPTGAAPOLB
Fumaric Acid SCHEMBL9759336 0.78 BCHE (0.39) BCHENPSR1MAPTGAAPOLB
SCHEMBL9759380 0.77 BCHE (0.35) BCHENPSR1MAPTGAAPOLB
SCHEMBL9759826 0.76 BCHE (0.40) BCHENPSR1MAPTGAAPOLB
SCHEMBL9784933 0.76 BCHE (0.38) BCHENPSR1MAPTGAAPOLB
SCHEMBL9758659 0.75 KDM1A (0.39) BCHENPSR1MAPTGAAPOLB

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-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed