SCHEMBL29036612

SCHEMBL29036612

Cc1cc(C)c([N+](=O)[O-])cc1C=NO

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
ALDH1A1 P00352 9/20 0.49
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HPGD P15428 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.42
ALOX12 P18054 1/20 0.42
TSHR P16473 3/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
GPR35 Q9HC97 2/20 0.39
HSP90AA1 P07900 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL22288805 0.93 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22288807 0.93 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23664474 0.85 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22288798 0.82 MEN1 (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22288797 0.82 MEN1 (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29036632 0.78 CYP3A4 (0.49) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL5593256 0.75 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL472740 0.75 MEN1 (0.62) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL472739 0.75 MEN1 (0.62) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3110503 0.75 MEN1 (0.62) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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-116056575-A Substituted haloalkylsulfonanilide herbicides FMC公司 2023-05-02 CN disclosed