SCHEMBL3266459

SCHEMBL3266459

CN1CCCC(C(=O)O)C1C1Cc2ccccc2N1N=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
DRD2 P14416 2/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA5 P30532 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
NOTUM Q6P988 1/20 0.33
SLC6A1 P30531 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 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3243831 0.73 KMT2A (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3244858 0.71 MAPT (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3236813 0.66 NOTUM (0.40) MEN1KMT2ADRD2CHRNB2CHRNA7
SCHEMBL3243594 0.66 NOTUM (0.40) MEN1KMT2ADRD2CHRNB2CHRNA7
SCHEMBL3243592 0.66 NOTUM (0.40) MEN1KMT2ADRD2CHRNB2CHRNA7
SCHEMBL9294528 0.65 CHRNB2 (0.53) MEN1KMT2AALDH1A1LMNACHRNB2
SCHEMBL9294538 0.65 CHRNB2 (0.53) MEN1KMT2AALDH1A1LMNACHRNB2
SCHEMBL9294533 0.65 CHRNB2 (0.53) MEN1KMT2AALDH1A1LMNACHRNB2
SCHEMBL29618970 0.64 NOTUM (0.53) MEN1KMT2AALDH1A1LMNAMAPT

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