SCHEMBL6684044

SCHEMBL6684044

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MGLL Q99685 1/20 0.46
ELANE P08246 1/20 0.42
MAPT P10636 4/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TTR P02766 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 1/20 0.40
CYP19A1 P11511 1/20 0.38
CUL4A Q13619 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
BACE1 P56817 1/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GLA P06280 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
SCHEMBL14659690 0.89 CYP19A1 (0.46) LMNAMGLLELANEMAPTCYP3A4
SCHEMBL1701666 0.84 LMNA (0.63) LMNAELANEMAPTCYP3A4TP53
SCHEMBL26090155 0.84 MGLL (0.45) MGLLMAPTTP53MEN1KMT2A
SCHEMBL16956382 0.82 LMNA (0.49) LMNAMGLLELANEMAPTCYP3A4
SCHEMBL16951579 0.82 MAPT (0.42) LMNAELANEMAPTCYP3A4TP53
SCHEMBL16951717 0.81 LMNA (0.40) LMNAMGLLMAPTCYP3A4TP53
SCHEMBL16958807 0.81 CYP19A1 (0.41) LMNAMGLLMAPTCYP3A4TP53
SCHEMBL593772 0.80 LMNA (0.63) LMNAELANEMAPTCYP3A4TP53
SCHEMBL28793573 0.78 LMNA (0.61) LMNAELANEMAPTCYP3A4TP53
SCHEMBL16960372 0.78 LMNA (0.49) LMNAMGLLMAPTCYP3A4TP53

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
WO-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO disclosed