SCHEMBL3243448

SCHEMBL3243448

COc1ccc2c(c1)CC(C1NCCCC1C(=O)O)N2N=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
DPP4 P27487 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NOTUM Q6P988 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HSD11B1 P28845 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPKAPK5 Q8IW41 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 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
SCHEMBL3242963 0.83 MEN1 (0.46) MEN1KMT2ANOTUM
SCHEMBL3243453 0.78 MEN1 (0.40) MEN1KMT2ANPSR1DPP4HSD17B10
SCHEMBL3242982 0.71 MEN1 (0.43) MEN1KMT2ADPP4HTR2CHTR2B
SCHEMBL3243682 0.66 MAPT (0.36) KMT2A
SCHEMBL3240586 0.66 ALDH1A1 (0.39) MEN1KMT2A
SCHEMBL3246780 0.62 CYP3A4 (0.41) MEN1KMT2AHSD17B10NOTUMSMN1; SMN2
SCHEMBL3266459 0.62 MEN1 (0.51) MEN1KMT2ANOTUM
SCHEMBL3246762 0.62 CYP3A4 (0.41) MEN1KMT2AHSD17B10NOTUMSMN1; SMN2
SCHEMBL1519108 0.62 GAA (0.47) MEN1KMT2AHSD17B10NOTUM
SCHEMBL7316200 0.62 NOTUM (0.51) KMT2AHSD17B10NOTUM

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-2102204-B1 NEW AMINOPYRROLO[1,2- A]INDOLE ET AMINOPYRIDAZINO[1,6-A]INDOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SERVIER LAB (FR) 2010-05-05 EP disclosed