SCHEMBL8880347

SCHEMBL8880347

COC(=O)c1cc(-c2ccc(C)cc2)no1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
RAB9A P51151 6/20 0.52
ALPL P05186 1/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RXFP1 Q9HBX9 2/20 0.52
SMN1; SMN2 Q16637 7/20 0.51
NPC1 O15118 3/20 0.51
TP53 P04637 3/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
CSGALNACT1 Q8TDX6 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
THRB P10828 1/20 0.48
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL15919469 0.88 MAPT (0.60) MAPTRAB9AMEN1KMT2ARXFP1
SCHEMBL17652591 0.86 MAPT (0.60) MAPTRAB9AMEN1KMT2ARXFP1
SCHEMBL2724085 0.86 SMN1; SMN2 (0.66) MAPTRAB9AALPLPOLBMEN1
SCHEMBL5293345 0.86 SMN1; SMN2 (0.63) MAPTRAB9AMEN1KMT2ARXFP1
SCHEMBL13363878 0.84 CYP46A1 (0.49) MAPTRAB9AMEN1KMT2ARXFP1
SCHEMBL8880032 0.82 HCAR2 (0.55) MAPTRAB9AALPLMEN1KMT2A
SCHEMBL15499846 0.81 SMN1; SMN2 (0.51) MAPTRAB9AMEN1KMT2ARXFP1
SCHEMBL8878902 0.81 MAPT (0.49) MAPTRAB9AMEN1KMT2ARXFP1
SCHEMBL3987365 0.81 MAPT (0.49) MAPTRAB9AMEN1KMT2ARXFP1
Hydrochloric Acid SCHEMBL8878911 0.81 HCAR2 (0.53) MAPTRAB9AALPLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602160-A MUSCLE RELAXANT MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1997-02-11 US disclosed
US-5498619-A MUSCLE RELAXANTS, POLLAKIUREA CURING AGENTS AND MUSCLE SPASMS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-03-12 US disclosed
EP-0414391-B1 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS (JP) 1995-03-15 EP disclosed
US-5338857-A Muscle relaxant MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1994-08-16 US disclosed
EP-0414391-A2 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-02-27 EP disclosed