SCHEMBL2472096

SCHEMBL2472096

N#Cc1ccc(-c2ccc(=O)n(Cc3cccc(NC(=O)O)c3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 7/20 0.56
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL2466186 0.91 MET (0.60) MET
SCHEMBL13247057 0.89 MET (0.73) METMEN1KMT2A
SCHEMBL3117528 0.87 MET (0.59) METMEN1KMT2ATP53MAPT
SCHEMBL2469567 0.86 MET (0.67) METMEN1KMT2AALDH1A1
SCHEMBL2672593 0.86 ALDH1A1 (0.59) METMEN1KMT2ATP53MAPT
Hydrochloric Acid SCHEMBL2673128 0.85 ALDH1A1 (0.58) METMEN1KMT2ATP53MAPT
SCHEMBL2470219 0.82 MET (0.62) METMEN1KMT2AMAPT
SCHEMBL2152552 0.82 MET (0.57) METMEN1KMT2AMAPT
SCHEMBL2673418 0.82 MET (0.64) MET
SCHEMBL3111915 0.82 MET (0.58) METMEN1KMT2ATP53MAPT

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-1960370-B1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2011-10-05 — — EP claimed
Send feedback