SCHEMBL11537633

SCHEMBL11537633

CCCCc1ccc([N+](=O)[O-])s1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HTT P42858 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
USP7 Q93009 1/20 0.41
MAPK1 P28482 1/20 0.41
NR1D1 P20393 5/20 0.40
NR1H3 Q13133 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL8654197 0.95 KMT2A (0.48) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL6152881 0.93 KMT2A (0.47) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL10160727 0.81 KMT2A (0.54) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL27481963 0.78 MAPT (0.50) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL5182378 0.78 KMT2A (0.51) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL25486356 0.77 NR1D1 (0.53) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL7753003 0.77 MAPT (0.53) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL8564647 0.76 MAPT (0.46) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL14571796 0.74 MAPT (0.46) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL18741304 0.74 MAPT (0.48) KMT2AMEN1MAPTKDM4EHTT

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
US-4180650-A POLYPYRROLIDONE, POLYCAPROLACTAM CHEVRON RESEARCH COMPANY (US) 1979-12-25 US disclosed