SCHEMBL9530787

SCHEMBL9530787

COCCN(CCOC)c1[c]cccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAP2K7 O14733 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
POLB P06746 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
KCNA5 P22460 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL816702 0.79 TP53 (0.34) KCNA5TP53
SCHEMBL1415978 0.76 MEN1 (0.39) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL2460591 0.76 TDP1 (0.37) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL2290085 0.75 EGFR (0.33)
SCHEMBL1355931 0.75 MEN1 (0.35) KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL1077660 0.74 KCNH2 (0.38) ALDH1A1TP53
SCHEMBL350461 0.74 TSHR (0.38) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL2460597 0.73 KCNH2 (0.40) ALDH1A1TP53
SCHEMBL9800560 0.73 KCNH2 (0.40) ALDH1A1TP53
SCHEMBL9800595 0.73 KCNH2 (0.40) ALDH1A1TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
EP-0269573-B1 LIQUID PHOTOINITIATING MIXTURE CIBA-GEIGY AG (CH) 1991-03-27 EP disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP disclosed
EP-0269573-A2 Liquid photoinitiating mixture CIBA-GEIGY AG (CH) 1988-06-01 EP disclosed