SCHEMBL9541822

SCHEMBL9541822

Cc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.46
MAOB P27338 1/20 0.46
SCN9A Q15858 6/20 0.46
KIF11 P52732 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FPR2 P25090 2/20 0.44
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP16 Q8N5Y8 1/20 0.43
PARP11 Q9NR21 1/20 0.43
PARP4 Q9UKK3 1/20 0.43
ICAM1 P05362 1/20 0.43

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
SCHEMBL3655194 0.84 KDM4E (0.53) KDM4EKMT2AALDH1A1CFTR
SCHEMBL24750245 0.84 KDM4E (0.51) CHEK2MAOBSCN9AKIF11KDM4E
SCHEMBL29938678 0.84 KDM4E (0.51) CHEK2MAOBSCN9AKIF11KDM4E
SCHEMBL27486214 0.81 PARP10 (0.61) CHEK2SMN1; SMN2KMT2AALDH1A1PARP15
SCHEMBL9388045 0.79 PARP10 (0.70) CHEK2MAOBKIF11KMT2AALDH1A1
SCHEMBL965069 0.78 CHEK1 (0.46) KDM4EPPARGPPARDPPARAKMT2A
Hydrochloric Acid SCHEMBL7999913 0.77 CHEK1 (0.45) KDM4EPPARGPPARDPPARAKMT2A
SCHEMBL10850330 0.77 PDE4A (0.40) MAOBSCN9AKIF11KDM4EMAPT
SCHEMBL9541829 0.76 L3MBTL1 (0.50) MAOBSCN9AMAPTSMN1; SMN2KMT2A
SCHEMBL2381918 0.76 MAOB (0.44) MAOBKIF11KDM4EMAPTSMN1; SMN2

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