SCHEMBL25947457

SCHEMBL25947457

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALOX5 P09917 7/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 5/20 0.46
HTT P42858 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.43
P4HB P07237 1/20 0.43
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.42
PABPC1 P11940 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PTGES O14684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40

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
SCHEMBL25946350 0.96 TSHR (0.51) TSHRALOX5ALDH1A1KMT2AHTT
SCHEMBL25939768 0.87 MAPT (0.46) TSHRALOX5ALDH1A1KMT2AHTT
SCHEMBL25947856 0.87 TSHR (0.49) TSHRALOX5ALDH1A1KMT2AHTT
SCHEMBL25947610 0.87 TSHR (0.42) TSHRALOX5ALDH1A1KMT2AHTT
SCHEMBL25946926 0.85 TSHR (0.47) TSHRALOX5ALDH1A1KMT2AHTT
SCHEMBL25946425 0.85 ALOX5 (0.47) TSHRALOX5ALDH1A1KMT2ALMNA
SCHEMBL25947900 0.84 PKM (0.44) TSHRALOX5ALDH1A1KMT2AHTT
SCHEMBL25946351 0.84 MAPT (0.47) TSHRALOX5ALDH1A1KMT2AHTT
SCHEMBL25949559 0.83 ALOX5 (0.44) TSHRALOX5ALDH1A1KMT2ALMNA
SCHEMBL25947211 0.82 PKM (0.42) TSHRALOX5ALDH1A1KMT2AHTT

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