SCHEMBL30344965

SCHEMBL30344965

NC(=O)c1cc([N+](=O)[O-])ccc1CCc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RORC P51449 1/20 0.47
POLB P06746 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MTNR1A P48039 1/20 0.46
HPGD P15428 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
CYP19A1 P11511 2/20 0.45
CNR2 P34972 2/20 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
SCHEMBL30344504 0.79 MEN1 (0.61) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL28039112 0.78 KMT2A (0.54) KMT2AMEN1ALDH1A1PKMPOLB
SCHEMBL3226619 0.77 MAPT (0.51) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL30344724 0.76 RORC (0.46) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL23909587 0.76 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL8086677 0.75 RAB9A (0.49) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL28405139 0.75 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL4204375 0.75 MAPT (0.71) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL30344555 0.74 RORC (0.46) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL28628640 0.73 KMT2A (0.63) KMT2AMEN1ALDH1A1PKMPOLB

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
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed