SCHEMBL9198342

SCHEMBL9198342

CCOC(=O)c1ccc(C)c(NC(=O)C2=C(C)OCCS2)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.70
MEN1 O00255 5/20 0.70
RAB9A P51151 5/20 0.70
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 2/20 0.51
NPC1 O15118 6/20 0.47
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9745316 0.85 RAB9A (0.73) KMT2AMEN1RAB9AMAPK1HSD17B10
SCHEMBL9198161 0.83 KMT2A (0.64) KMT2AMEN1RAB9AMAPK1HSD17B10
SCHEMBL11375431 0.76 MAPK1 (0.71) KMT2AMEN1RAB9AMAPK1HSD17B10
SCHEMBL9745139 0.76 KMT2A (0.61) KMT2AMEN1RAB9AMAPK1HSD17B10
SCHEMBL9198177 0.76 RAB9A (0.56) KMT2AMEN1RAB9AMAPK1HSD17B10
SCHEMBL9199898 0.74 MAPK1 (0.55) KMT2AMEN1RAB9AMAPK1HSD17B10
SCHEMBL8440916 0.74 MAPK1 (0.47) KMT2AMEN1RAB9AMAPK1HSD17B10
SCHEMBL9203711 0.72 MAPK1 (0.67) KMT2AMEN1RAB9AMAPK1HSD17B10
SCHEMBL13530949 0.71 RAB9A (0.53) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL19073296 0.70 CA12 (0.56) KMT2ARAB9ANPC1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP claimed
EP-0497816-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. UNIROYAL CHEMICAL LTD (CA) 1992-08-12 EP claimed
WO-1991005761-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-05-02 WO claimed
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP disclosed
US-5268389-A Containing a benzene ring UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-12-07 US disclosed
EP-0497816-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. UNIROYAL CHEMICAL LTD (CA) 1992-08-12 EP disclosed
WO-1991005761-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-05-02 WO disclosed