SCHEMBL9050316

SCHEMBL9050316

O=C[C@H]1NCC(=S)C1C(=O)[C@H]1NCC(=S)C1C(=O)c1cc2ccccc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.39
RAB9A P51151 6/20 0.37
NPC1 O15118 4/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 5/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 2/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL9050214 0.83 ESR1 (0.36) MEN1MAPK1KMT2A
SCHEMBL9170727 0.81 PSMB5 (0.32) MEN1KMT2A
SCHEMBL9045886 0.80 PSMB5 (0.32)
SCHEMBL9049197 0.79 GLS (0.32)
SCHEMBL9046622 0.79 PREP (0.39) RAB9ANPC1MAPTPOLBALDH1A1
SCHEMBL9169299 0.79 MAPT (0.44) RAB9ANPC1MEN1TSHRKMT2A
SCHEMBL9046667 0.78 RAB9A (0.36) FLT3RAB9ANPC1MEN1TSHR
SCHEMBL9051315 0.73 PREP (0.39) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9050112 0.73 DPP4 (0.44) MAPTPOLB
SCHEMBL9050344 0.73 MAPT (0.38) FLT3RAB9ANPC1TSHRMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536399-B1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 1996-01-24 EP disclosed
US-5407950-A Brain disorders, senile dementia ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-04-18 US disclosed
EP-0536399-A1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1993-04-14 EP disclosed