SCHEMBL8940873

SCHEMBL8940873

CC(C)Oc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.63
MEN1 O00255 7/20 0.63
MAPT P10636 7/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 2/20 0.63
MAPK1 P28482 2/20 0.63
PKM P14618 2/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
CYP2C19 P33261 1/20 0.63
PPARG P37231 1/20 0.63
THPO P40225 1/20 0.63
MTOR P42345 1/20 0.63
RORC P51449 1/20 0.63
PMP22 Q01453 1/20 0.63

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
SCHEMBL28158296 0.85 KMT2A (0.70) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL8977114 0.84 MAPT (0.64) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL728433 0.83 ALDH1A1 (0.54) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL7912218 0.81 CYP19A1 (0.51) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL729587 0.80 CYP19A1 (0.51) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL6811505 0.80 KMT2A (0.74) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL10836873 0.79 KMT2A (0.72) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL17699316 0.79 KMT2A (0.72) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL8977067 0.78 KMT2A (0.56) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL16960692 0.78 CYP19A1 (0.51) KMT2AMEN1MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8048663-A None JP disclosed
JP-H0848663-A BENZANILIDE DERIVATIVE FUJIREBIO INC 1996-02-20 JP disclosed