SCHEMBL29208261

SCHEMBL29208261

Cc1cc(Cl)ccc1NC(=O)CNO

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
MAPT P10636 5/20 0.62
GAA P10253 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
POLB P06746 3/20 0.54
MAPK1 P28482 1/20 0.54
NOX1 Q9Y5S8 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL29528489 0.86 KMT2A (0.68) ALDH1A1MAPTGAATDP1KDM4E
SCHEMBL10603640 0.83 ALDH1A1 (0.73) ALDH1A1MAPTGAATDP1KDM4E
SCHEMBL29528302 0.83 ALDH1A1 (0.73) ALDH1A1MAPTGAATDP1KDM4E
SCHEMBL8824873 0.82 KMT2A (0.61) ALDH1A1MAPTGAATDP1KDM4E
SCHEMBL31570088 0.82 KMT2A (0.61) ALDH1A1MAPTGAATDP1KDM4E
SCHEMBL29048142 0.81 KMT2A (0.59) ALDH1A1MAPTGAATDP1KDM4E
SCHEMBL11574112 0.79 MEN1 (0.58) ALDH1A1MAPTGAATDP1KDM4E
SCHEMBL6118251 0.79 MAPK1 (0.63) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL3951268 0.78 ALDH1A1 (0.58) ALDH1A1MAPTGAATDP1KDM4E
SCHEMBL9818853 0.78 KMT2A (0.57) ALDH1A1MAPTGAATDP1KDM4E

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-117720426-A Synthesis method of 2-amino-5-chloro-3-methylbenzoic acid 湖北泰盛化工有限公司 2024-03-19 CN disclosed