SCHEMBL8977671

SCHEMBL8977671

O=[N+]([O-])c1ccc(NN=Cc2ccc[nH]2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.67
▸ MEN1 O00255 6/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ GAA P10253 3/20 0.67
▸ PSMD14 O00487 2/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ MMP2 P08253 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ ALOX12 P18054 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ NFKB2 Q00653 1/20 0.67
▸ RELA Q04206 1/20 0.67
▸ MAPT P10636 8/20 0.60
▸ CCR6 P51684 1/20 0.60
▸ TNNI3 P19429 1/20 0.58
▸ TNNT2 P45379 1/20 0.58
▸ TNNC1 P63316 1/20 0.58
▸ HKDC1 Q2TB90 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
SCHEMBL8977668 1.00 KMT2A (0.67) KMT2AMEN1SMN1; SMN2GAAPSMD14
SCHEMBL8977643 0.80 MAPT (0.60) KMT2AMEN1SMN1; SMN2GAAPSMD14
SCHEMBL8977646 0.80 MAPT (0.60) KMT2AMEN1SMN1; SMN2GAAPSMD14
SCHEMBL7859404 0.79 MAPT (0.77) KMT2AMEN1SMN1; SMN2GAAPSMD14
SCHEMBL8977647 0.79 MAPT (0.69) KMT2AMEN1SMN1; SMN2GAAPSMD14
SCHEMBL8977653 0.79 MAPT (0.69) KMT2AMEN1SMN1; SMN2GAAPSMD14
SCHEMBL7863715 0.79 MAPT (0.77) KMT2AMEN1SMN1; SMN2GAAPSMD14
SCHEMBL8977744 0.78 MAPT (0.57) KMT2AMEN1SMN1; SMN2GAAPSMD14
SCHEMBL8977746 0.78 MAPT (0.57) KMT2AMEN1SMN1; SMN2GAAPSMD14
SCHEMBL23550097 0.76 MAPT (0.65) KMT2AMEN1SMN1; SMN2GAAPSMD14

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-5569763-A USEFUL AS ORGANIC NONLINEAR OPTICAL MATERIAL AND A HIGHLY SENSITIVE COLORING CHELATION AGENT KABUSHIKI KAISHA TOSHIBA (JP) 1996-10-29 — — US disclosed
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