SCHEMBL28665183

SCHEMBL28665183

Cc1ccc(N2C(=O)c3ccccc3C2=O)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 3/20 0.50
NR1H3 Q13133 2/20 0.50
MAPK1 P28482 2/20 0.50
NR1H2 P55055 1/20 0.50
GRM1 Q13255 1/20 0.49
GRM4 Q14833 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL17059033 0.85 KMT2A (0.56) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL15893573 0.85 ESR1 (0.56) ESR1ESR2LMNASMN1; SMN2MEN1
SCHEMBL7514060 0.82 MEN1 (0.49) ESR1ESR2SMN1; SMN2MEN1KMT2A
SCHEMBL30273450 0.82 ESR1 (0.53) ESR1ESR2MEN1KMT2ANR1H3
SCHEMBL10885032 0.82 CYP3A4 (0.66) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL6678239 0.82 ESR1 (0.53) ESR1ESR2MEN1KMT2ANR1H3
SCHEMBL10662487 0.82 ALDH1A1 (0.67) ESR1ESR2LMNASMN1; SMN2MEN1
SCHEMBL12203015 0.81 SMN1; SMN2 (0.59) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3136421 0.80 ESR1 (0.48) ESR1ESR2LMNASMN1; SMN2MEN1
SCHEMBL2550815 0.80 KMT2A (0.73) LMNAMEN1KMT2AMAPTTDP1

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-110330526-B Green synthesis method of thiophosphite 成都理工大学 2021-11-26 CN disclosed