SCHEMBL2469567

SCHEMBL2469567

O=C(O)Nc1cccc(Cn2nc(-c3ccc(F)cc3)ccc2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.67
▸ HDAC1 Q13547 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL2464489 0.91 MET (0.79) METHDAC1
Hydrochloric Acid SCHEMBL2672902 0.90 MET (0.78) METHDAC1
SCHEMBL4125734 0.90 MET (0.68) METHDAC1MEN1KMT2AALDH1A1
SCHEMBL3117528 0.90 MET (0.59) METMEN1KMT2AALDH1A1
SCHEMBL2470219 0.89 MET (0.62) METHDAC1MEN1KMT2A
SCHEMBL2672593 0.89 ALDH1A1 (0.59) METHDAC1MEN1KMT2AALDH1A1
SCHEMBL2469377 0.88 MET (0.66) METMEN1KMT2A
Hydrochloric Acid SCHEMBL2673128 0.88 ALDH1A1 (0.58) METHDAC1MEN1KMT2AALDH1A1
SCHEMBL4126839 0.88 MET (0.86) METMEN1KMT2A
SCHEMBL2672558 0.87 MET (0.64) METHDAC1MEN1KMT2AKDM4E

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
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