SCHEMBL29033968

SCHEMBL29033968

O=[N+]([O-])c1cc(-c2cc[nH]n2)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ XDH P47989 2/20 0.35
▸ GALR3 O60755 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ TYMS P04818 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL27858187 0.86 MAPT (0.44) MAPTMEN1KMT2APOLBTDP1
SCHEMBL29033980 0.82 MAPT (0.52) MAPTMEN1KMT2APOLBTDP1
SCHEMBL27844926 0.81 MAPT (0.48) MAPTMEN1KMT2APOLBTDP1
SCHEMBL27825929 0.80 MAPT (0.47) MAPTMEN1KMT2APOLBTDP1
SCHEMBL27680977 0.79 MEN1 (0.45) MAPTMEN1KMT2APOLBTDP1
SCHEMBL20630984 0.77 CHEK1 (0.49) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL8782300 0.75 MAPT (0.41) MAPTMEN1KMT2APOLBTDP1
SCHEMBL28242342 0.75 AR (0.46) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL3014712 0.74 MAPT (0.49) MAPTMEN1KMT2APOLBTDP1
SCHEMBL25377636 0.73 S100A4 (0.42) MAPTMEN1KMT2ATDP1ALDH1A1

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-116444436-A Synthesis method of aminophenylpyrazole compound 曲靖师范学院 2023-07-18 — — CN disclosed
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