SCHEMBL9357142

SCHEMBL9357142

Cc1cccc(C(=O)N(N(C#N)C(=O)c2cccc(Cl)c2Cl)C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
ABCB1 P08183 3/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL9356802 0.92 ABCB1 (0.40) HTTABCB1SLC6A2SLC6A4SLC6A3
SCHEMBL9356888 0.91 KCNK3 (0.41) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL9356789 0.91 HPGD (0.39) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL9357123 0.90 ABCB1 (0.47) HTTABCB1HPGDALDH1A1SLC6A2
SCHEMBL9356815 0.89 TSHR (0.41) HTTABCB1SLC6A2SLC6A4SLC6A3
SCHEMBL9357042 0.86 ABCB1 (0.41) HTTABCB1SLC6A2SLC6A4SLC6A3
SCHEMBL9356941 0.84 HPGD (0.40) NPC1RAB9AKCNK3KCNK9ABCB1
SCHEMBL9854889 0.84 KCNK3 (0.45) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL9356785 0.83 ABCB1 (0.40) HTTABCB1
SCHEMBL9356842 0.83 ABCB1 (0.45) HTTABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0461809-B1 Dibenzoylalkylcyanohydrazines ROHM & HAAS (US) 1994-12-07 EP claimed