SCHEMBL27637460

SCHEMBL27637460

O=C(O)c1cc([N+](=O)[O-])ccc1Br.O=C(O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
RORC P51449 5/20 0.55
CYP3A4 P08684 3/20 0.55
MAPT P10636 3/20 0.55
MAPK1 P28482 2/20 0.55
PPARG P37231 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
CYP2C19 P33261 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55
PMP22 Q01453 1/20 0.55

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
SCHEMBL136718 0.91 ALDH1A1 (0.59) KMT2AMEN1CYP3A4MAPTSMN1; SMN2
SCHEMBL231222 0.91 KMT2A (0.63) KMT2AMEN1RORCCYP3A4MAPT
SCHEMBL6392429 0.89 KMT2A (0.61) KMT2AMEN1RORCCYP3A4MAPT
SCHEMBL8450902 0.89 KMT2A (0.61) KMT2AMEN1RORCCYP3A4MAPT
Hydrochloric Acid SCHEMBL5875909 0.89 ALDH1A1 (0.57) KMT2AMEN1CYP3A4MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6202524 0.89 KMT2A (0.61) KMT2AMEN1RORCCYP3A4MAPT
SCHEMBL27890189 0.79 TP53 (0.71) KMT2AMEN1CYP3A4MAPTSMN1; SMN2
SCHEMBL10558632 0.79 HSD17B10 (0.58) KMT2AMEN1RORCCYP3A4MAPT
SCHEMBL450293 0.79 ALDH1A1 (0.52) KMT2AMEN1RORCCYP3A4MAPT
SCHEMBL10953243 0.79 HSD17B10 (0.62) KMT2AMEN1RORCCYP3A4MAPT

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
CN-1724532-A Colorant compound XEROX CORP (US) 2006-01-25 CN disclosed