SCHEMBL8977733

SCHEMBL8977733

O=[N+]([O-])c1ccc(NN=Cc2c[nH]c3ccccc23)nc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.70
▸ KMT2A Q03164 11/20 0.70
▸ MAPT P10636 9/20 0.70
▸ GAA P10253 4/20 0.70
▸ PSMD14 O00487 2/20 0.70
▸ TLR9 Q9NR96 1/20 0.70
▸ TNNI3 P19429 1/20 0.67
▸ TNNT2 P45379 1/20 0.67
▸ TNNC1 P63316 1/20 0.67
▸ CCR6 P51684 1/20 0.64
▸ TDP1 Q9NUW8 3/20 0.62
▸ ATM Q13315 1/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2D6 P10635 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ CYP3A4 P08684 1/20 0.60

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
SCHEMBL8977730 1.00 MEN1 (0.70) MEN1KMT2AMAPTGAAPSMD14
SCHEMBL26983136 0.82 MEN1 (1.00) MEN1KMT2AMAPTGAAPSMD14
SCHEMBL27123871 0.82 MEN1 (1.00) MEN1KMT2AMAPTGAAPSMD14
SCHEMBL7863715 0.77 MAPT (0.77) MEN1KMT2AMAPTGAAPSMD14
SCHEMBL7859404 0.77 MAPT (0.77) MEN1KMT2AMAPTGAAPSMD14
SCHEMBL8977773 0.76 TNNI3 (0.58) MEN1KMT2AMAPTGAAPSMD14
SCHEMBL8977771 0.76 TNNI3 (0.58) MEN1KMT2AMAPTGAAPSMD14
SCHEMBL8977668 0.75 KMT2A (0.67) MEN1KMT2AMAPTGAAPSMD14
SCHEMBL8977671 0.75 KMT2A (0.67) MEN1KMT2AMAPTGAAPSMD14
SCHEMBL8977653 0.74 MAPT (0.69) MEN1KMT2AMAPTGAAPSMD14

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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