SCHEMBL6992002

SCHEMBL6992002

CCOC(=O)C1CCc2cc(C#N)sc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.48
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 2/20 0.46
RECQL P46063 1/20 0.46
LIMK1 P53667 1/20 0.45
PNMT P11086 2/20 0.41
LMNA P02545 1/20 0.39
LGMN Q99538 1/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6987113 0.79 PDK1 (0.49) PDK1ALDH1A1KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL6998122 0.77 PDK1 (0.47) PDK1ALDH1A1KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL6998111 0.76 PDK1 (0.46) PDK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL22070903 0.74 KDM4E (0.40) PDK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL13591318 0.74 KDM4E (0.40) PDK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6989315 0.74 PDK1 (0.51) PDK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL29070872 0.72 ALDH1A1 (0.62) PDK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL4895798 0.70 ALDH1A1 (0.40) PDK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL17385025 0.69 PDK1 (0.73) PDK1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3630406 0.69 KDM4E (0.50) PDK1ALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927177-B1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-26 EP disclosed
US-6274619-B1 FUSED AMIDINO TYPE COMPOUNDS SUCH AS 4-(N-BUTYLCARBAMOYLMETHYLIDENE)-2-AMIDINO-4,5,6,7-TETRAHYDROBE NZO(B)THIOPHENE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-14 US disclosed
US-6093710-A AN ENZYME INHIBITOR TREATING ANGIOGENESIS, ARTHRITIS, INFLAMMATION, METASTASIS, OSTEOPOROSIS, TUMORSANGIOGENESIS-DEPENDENT RETINOPATHIES, CONTRACEPTIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-25 US disclosed