SCHEMBL28796266

SCHEMBL28796266

Cc1cc(C)c(NC(=O)CO[SH](=O)=O)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NLRP3 Q96P20 1/20 0.49
POLB P06746 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 4/20 0.47
ALOX15 P16050 1/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL2093587 0.81 LMNA (0.61) LMNAHPGDSMN1; SMN2NLRP3POLB
SCHEMBL2093582 0.79 LMNA (0.59) LMNAHPGDSMN1; SMN2NLRP3POLB
SCHEMBL21164704 0.77 LMNA (0.56) LMNAHPGDSMN1; SMN2NLRP3POLB
SCHEMBL2092062 0.76 LMNA (0.69) LMNAHPGDNLRP3POLBMEN1
SCHEMBL12883186 0.74 TSHR (0.77) LMNAHPGDNLRP3POLBMEN1
SCHEMBL2092059 0.74 LMNA (0.67) LMNAHPGDNLRP3POLBMEN1
SCHEMBL3952909 0.73 ALDH1A1 (0.68) LMNAHPGDSMN1; SMN2POLBMEN1
SCHEMBL3899409 0.73 LMNA (0.96) LMNAHPGDNLRP3POLBMEN1
SCHEMBL11578854 0.73 LMNA (0.70) LMNAHPGDPOLBMEN1KMT2A
SCHEMBL4214095 0.73 LMNA (0.65) LMNAHPGDNLRP3POLBMEN1

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-114667286-A Triazatricycles for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2022-06-24 CN disclosed