SCHEMBL28628640

SCHEMBL28628640

NC(=O)c1ccc([N+](=O)[O-])cc1CCc1cc([N+](=O)[O-])ccc1C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
CYP3A4 P08684 3/20 0.52
POLB P06746 2/20 0.52
CYP1A2 P05177 2/20 0.52
MEN1 O00255 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALOX15 P16050 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 2/20 0.50
PKM P14618 1/20 0.50
MITF O75030 1/20 0.49
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
ATM Q13315 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL6272138 0.91 KMT2A (0.56) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
SCHEMBL3955084 0.88 KMT2A (0.61) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
SCHEMBL5511867 0.88 KMT2A (0.54) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
SCHEMBL10584268 0.87 KMT2A (0.64) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
SCHEMBL7417826 0.87 KMT2A (0.52) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
SCHEMBL7342649 0.87 KMT2A (0.52) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
SCHEMBL7207882 0.85 KMT2A (0.51) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
SCHEMBL11615752 0.85 KMT2A (0.51) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
SCHEMBL27182378 0.85 KMT2A (0.51) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
SCHEMBL27958259 0.85 KMT2A (0.51) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB

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-109456215-B Functional diamine monomer with high planarity and containing fluorene or fluorenone structure as well as synthesis method and application thereof 湖南工业大学 2021-10-01 CN disclosed