SCHEMBL9338574

SCHEMBL9338574

COC(=O)C(=CO)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 2/20 0.40

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
SCHEMBL9338569 1.00 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL9336389 0.84 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL9336394 0.84 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL9335996 0.81 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL9335995 0.81 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL13116685 0.81 TSHR (0.52) SMN1; SMN2MAPTHTTMEN1KMT2A
SCHEMBL9738478 0.81 TSHR (0.52) SMN1; SMN2MAPTHTTMEN1KMT2A
SCHEMBL9738473 0.81 TSHR (0.52) SMN1; SMN2MAPTHTTMEN1KMT2A
SCHEMBL1339256 0.81 CYP1A2 (0.47) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL1339253 0.81 CYP1A2 (0.47) SMN1; SMN2RAB9AMAPTNPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5321021-A Tricyclic pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 1994-06-14 US disclosed
US-5036066-A Muscle relaxants, anxiolytic agents, anticonvulsants HOFFMANN-LA ROCHE INC. (US) 1991-07-30 US disclosed
EP-0183994-B1 TRICYCLIC PYRIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1990-03-21 EP disclosed
US-4889848-A 4-OXO-4H-BENZO(A)QUINOLIZINES; MUSCLE RELAXANTS; SEDATIVES; ANTICONVULSANTS; ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1989-12-26 US disclosed
US-4735940-A Tricyclic pyridine derivatives and pharmaceutical compositions HOFFMANN-LA ROCHE INC. (US) 1988-04-05 US disclosed
EP-0183994-A1 Tricyclic pyridone derivatives F. HOFFMANN-LA ROCHE AG (CH) 1986-06-11 EP disclosed