SCHEMBL9541829

SCHEMBL9541829

Cc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 4/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
NR4A1 P22736 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A4 P31645 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KCNH2 Q12809 3/20 0.40
SCN9A Q15858 2/20 0.40
SCN5A Q14524 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL8762097 0.87 NR4A1 (0.41) L3MBTL1RAB9AMAPTLMNAATM
SCHEMBL24155484 0.85 MAPT (0.50) L3MBTL1RAB9AMAPTLMNANPSR1
SCHEMBL8762387 0.85 NR4A1 (0.58) L3MBTL1RAB9AMAPTLMNANR4A1
SCHEMBL10924561 0.84 RAB9A (0.47) L3MBTL1RAB9AMAPTLMNAATM
SCHEMBL8166370 0.84 ALDH1A1 (0.47) L3MBTL1RAB9AMAPTLMNANR4A1
SCHEMBL23530428 0.84 ALDH1A1 (0.47) L3MBTL1RAB9AMAPTLMNANR4A1
SCHEMBL486670 0.83 NR4A1 (0.61) L3MBTL1RAB9AMAPTLMNANR4A1
SCHEMBL7997269 0.83 HAO1 (0.45) L3MBTL1RAB9AMAPTLMNAATM
SCHEMBL15697305 0.81 AR (0.40) L3MBTL1RAB9AMAPTLMNAATM
SCHEMBL378246 0.81 ALDH1A1 (0.52) L3MBTL1RAB9AMAPTLMNAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993014062-A1 ANTHELMINTIC β-KETOAMIDES THE UPJOHN COMPANY (US) 1993-07-22 WO claimed
WO-1993014062-A1 ANTHELMINTIC β-KETOAMIDES THE UPJOHN COMPANY (US) 1993-07-22 WO disclosed