SCHEMBL6683299

SCHEMBL6683299

CC(=O)Oc1cc(C#N)cc(C(Br)Br)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TTR P02766 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MGLL Q99685 6/20 0.36
CYP19A1 P11511 1/20 0.35
CUL4A Q13619 1/20 0.34
GSK3B P49841 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16951581 0.83 MGLL (0.38) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL14659690 0.83 CYP19A1 (0.46) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL16954136 0.81 LMNA (0.38) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL16960695 0.80 CYP4F2 (0.36) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL6682154 0.78 ALDH1A1 (0.41) MGLLALDH1A1
SCHEMBL16951579 0.77 MAPT (0.42) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL6684044 0.77 LMNA (0.49) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL16951717 0.76 LMNA (0.40) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL16958807 0.76 CYP19A1 (0.41) LMNACYP3A4MAPTKDM4EMEN1
SCHEMBL1382104 0.74 LMNA (0.44) LMNACYP3A4MAPTKDM4EMEN1

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
WO-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO disclosed