SCHEMBL25947682

SCHEMBL25947682

CCOC(=O)c1c(CN)n(C)c2cc(C3=CCCC3)c(-c3cccc4ccccc34)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ALOX5 P09917 5/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.37
PREP P48147 1/20 0.37
LMNA P02545 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36

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
SCHEMBL25947113 1.00 TSHR (0.40) TSHRALOX5KMT2AMEN1KDM4E
SCHEMBL25949686 0.90 RAD52 (0.40) TSHRALOX5KMT2AMEN1KDM4E
SCHEMBL25939727 0.89 RAD52 (0.38) TSHRALOX5KMT2AMEN1KDM4E
SCHEMBL25939843 0.89 RAD52 (0.38) TSHRALOX5KMT2AMEN1KDM4E
SCHEMBL25948923 0.87 RAD52 (0.38) TSHRALOX5KMT2AMEN1KDM4E
SCHEMBL25947681 0.85 RAD52 (0.36) TSHRALOX5KMT2AMEN1KDM4E
SCHEMBL25947102 0.85 RAD52 (0.36) TSHRALOX5KMT2AMEN1KDM4E
SCHEMBL25946926 0.82 TSHR (0.47) TSHRALOX5KMT2AMEN1KDM4E
SCHEMBL25946425 0.82 ALOX5 (0.47) TSHRALOX5KMT2AMEN1KDM4E
SCHEMBL25947856 0.82 TSHR (0.49) TSHRALOX5KMT2AMEN1KDM4E

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
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed