SCHEMBL29033980

SCHEMBL29033980

O=[N+]([O-])c1cc(-c2cc[nH]n2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ DHFR P00374 1/20 0.46
▸ VCAM1 P19320 7/20 0.44
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40

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) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL29033968 0.82 MAPT (0.41) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL11740769 0.79 MAPT (0.50) MAPTMEN1KMT2AALDH1A1DHFR
SCHEMBL27680977 0.79 MEN1 (0.45) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL27844926 0.78 MAPT (0.48) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL5992360 0.78 VCAM1 (0.60) MAPTMEN1KMT2AALDH1A1DHFR
SCHEMBL27825929 0.77 MAPT (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL1829344 0.77 AHR (0.50) MAPTALDH1A1NPSR1
SCHEMBL20630984 0.77 CHEK1 (0.49) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2461199 0.76 VCAM1 (0.58) MAPTMEN1KMT2AALDH1A1DHFR

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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