SCHEMBL28404353

SCHEMBL28404353

COc1cccc(Nc2cc(Cl)ccc2C(=O)O)c1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 14/20 0.81
AKR1C2 P52895 14/20 0.81
GRIK1 P39086 2/20 0.76
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
LMNA P02545 2/20 0.70
HPGD P15428 1/20 0.70
GFER P55789 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
USP2 O75604 1/20 0.62
PABPC1 P11940 1/20 0.62
MAPT P10636 2/20 0.62
POLB P06746 1/20 0.62
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL9594214 0.89 AKR1C3 (1.00) AKR1C3AKR1C2MEN1KMT2ALMNA
SCHEMBL30701240 0.89 AKR1C3 (1.00) AKR1C3AKR1C2MEN1KMT2ALMNA
SCHEMBL6435127 0.86 GRIK1 (1.00) AKR1C3AKR1C2GRIK1MEN1KMT2A
SCHEMBL10987195 0.86 AKR1C3 (0.61) AKR1C3AKR1C2GRIK1MEN1KMT2A
SCHEMBL9593696 0.85 AKR1C3 (0.82) AKR1C3AKR1C2MEN1KMT2ALMNA
SCHEMBL10834344 0.85 AKR1C3 (0.84) AKR1C3AKR1C2GRIK1MEN1KMT2A
SCHEMBL11113166 0.85 AKR1C3 (0.79) AKR1C3AKR1C2GRIK1MEN1KMT2A
SCHEMBL31060427 0.84 AKR1C3 (0.72) AKR1C3AKR1C2GRIK1MEN1KMT2A
SCHEMBL6551809 0.84 AKR1C3 (0.72) AKR1C3AKR1C2GRIK1MEN1KMT2A
SCHEMBL11540106 0.83 AKR1C3 (0.79) AKR1C3AKR1C2MEN1KMT2ALMNA

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-105884686-B 10-substituted acridine-3 (10) -ketone compound, preparation method and application thereof 中国药科大学 2020-06-09 CN disclosed