SCHEMBL8880129

SCHEMBL8880129

COCC(=O)c1cc(-c2ccccc2)no1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.58
▸ RAB9A P51151 6/20 0.58
▸ KDM4E B2RXH2 2/20 0.51
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ PTPN1 P18031 3/20 0.46
▸ NOTUM Q6P988 1/20 0.46
▸ NPC1 O15118 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8878334 0.84 SMN1; SMN2 (0.65) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL8785350 0.81 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL1435521 0.80 RAB9A (0.59) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL27339512 0.80 RAB9A (0.59) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL5293345 0.80 SMN1; SMN2 (0.63) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL8879495 0.79 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL9373000 0.79 RAB9A (0.57) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL14398406 0.79 KDM4E (0.49) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL17874030 0.78 MAPT (0.56) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL4805 0.78 RAB9A (0.69) SMN1; SMN2RAB9AKDM4EMEN1KMT2A

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
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