SCHEMBL4030815

SCHEMBL4030815

Cc1onc(-c2ccc([N+](=O)[O-])cc2)c1NC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
TNF P01375 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GABRA5 P31644 1/20 0.44
NTRK1 P04629 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL4037282 0.83 MAPT (0.52) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL4029460 0.81 NPSR1 (0.61) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL7763901 0.81 KMT2A (0.51) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL9903838 0.80 NPSR1 (0.48) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL4028725 0.80 MAPT (0.49) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL4030354 0.78 MAPT (0.48) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL4032659 0.78 NPSR1 (0.52) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL4032674 0.76 LPAR1 (0.51) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL28635457 0.75 PTGS2 (0.69) KMT2ALMNACA1CA2CA4
SCHEMBL27969142 0.75 GABRA5 (0.51) KMT2AMAPTKDM4EMEN1ALDH1A1

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-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed