SCHEMBL3457871

SCHEMBL3457871

Cc1cc(C#N)ccc1C1=CCN[C](CC(=O)N2CCOCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 3/20 0.40
EGLN1 Q9GZT9 3/20 0.39
ALK Q9UM73 1/20 0.38
RORC P51449 2/20 0.37
SCN7A Q01118 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
FKBP1A P62942 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3457329 0.88 KDM1A (0.40) FASNEGLN1RORC
SCHEMBL3457875 0.74 NAMPT (0.51) EGLN1ALKHRH2HRH1KDM4E
SCHEMBL3457000 0.74 EGLN1 (0.39) FASNEGLN1KDM4EGLAHPGD
SCHEMBL3457601 0.69 OXTR (0.38) FASNEGLN1HRH2HRH1KMT2A
SCHEMBL17338927 0.68 MAPT (0.62) SCN7AKCNH2KMT2AHTTFKBP1A
SCHEMBL29222005 0.67 SLC6A9 (0.53) FASNRORCKMT2AHTTHPGD
SCHEMBL3457210 0.67 CYP11B2 (0.37) EGLN1KCNH2HRH2HRH1
SCHEMBL6359772 0.64 NAMPT (0.42) ALKHRH2HRH1ADAM10MMP2
SCHEMBL19049602 0.63 FKBP1A (0.67) KMT2AFKBP1ASMN1; SMN2NPC1
SCHEMBL5321408 0.63 HTR6 (0.59) ALKKMT2ACYP1A2CYP3A4KDM4E

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-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed