SCHEMBL7305372

SCHEMBL7305372

O=C(O)CN1C(=O)NC(Cc2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AKR1B1 P15121 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MMP2 P08253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MMP1 P03956 2/20 0.43
MMP9 P14780 2/20 0.43
MEN1 O00255 1/20 0.42
CACNA1G O43497 1/20 0.41

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
SCHEMBL9217203 1.00 KMT2A (0.55) KMT2AALOX15NPSR1AKR1B1HDAC1
SCHEMBL9453746 0.82 HDAC1 (0.60) KMT2AHDAC1HDAC6L3MBTL1MMP2
Hydrochloric Acid SCHEMBL9225572 0.80 ALOX15 (0.49) KMT2AALOX15NPSR1HDAC1HDAC6
SCHEMBL9453685 0.80 KMT2A (0.56) KMT2AHDAC1HDAC6MMP2MMP1
SCHEMBL7295633 0.79 ALOX15 (0.40) KMT2AALOX15NPSR1HDAC1HDAC6
SCHEMBL9222098 0.78 ALOX15 (0.51) KMT2AALOX15NPSR1HDAC1HDAC6
SCHEMBL9453686 0.76 KMT2A (0.51) KMT2AALOX15NPSR1ALDH1A1KDM4E
SCHEMBL22091733 0.74 KMT2A (0.60) KMT2AALDH1A1MMP2MMP1MMP9
SCHEMBL26304198 0.74 KMT2A (0.60) KMT2AALDH1A1MMP2MMP1MMP9
SCHEMBL9453601 0.73 HDAC6 (0.53) KMT2AALOX15HDAC1HDAC6ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530505-B1 Hydantoin derivatives CASSELLA FARBWERKE MAINKUR AG (DE) 1995-10-11 EP disclosed
US-5389614-A Anticoagulants CASSELLA AG (DE) 1995-02-14 US disclosed
EP-0530505-A2 Hydantoin derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-10 EP disclosed