SCHEMBL9338489

SCHEMBL9338489

COCCNC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1ccccc1CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
ALOX15 P16050 1/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.42
MTNR1A P48039 5/20 0.42
MTNR1B P49286 5/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
KDM4E B2RXH2 2/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL9335031 0.90 MAPK1 (0.40) MAPK1ALOX15MAPTLMNATP53
SCHEMBL9334765 0.84 KMT2A (0.43) MAPTLMNATP53HPGDALDH1A1
SCHEMBL9338243 0.84 GABRG2 (0.53) MAPTLMNAHPGDMTNR1AMTNR1B
SCHEMBL9334779 0.80 TSHR (0.40) MAPTLMNAHPGDMTNR1AMTNR1B
SCHEMBL9336250 0.79 KDM4E (0.40) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL9348092 0.79 ALOX15 (0.43) MAPK1ALOX15MAPTLMNATP53
SCHEMBL9343320 0.78 HDAC1 (0.41) MTNR1AMTNR1BALDH1A1SMN1; SMN2GABRA1
SCHEMBL9344053 0.77 CHEK1 (0.41) MTNR1AMTNR1BSMN1; SMN2
Hydrochloric Acid SCHEMBL9334389 0.77 TMEM97 (0.43) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL9338427 0.76 ALDH1A1 (0.41) MAPTLMNAALDH1A1MEN1KMT2A

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-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