SCHEMBL2204832

SCHEMBL2204832

COc1nc(Cl)nc(Nc2ccc(C=Cc3ccc(Nc4nc(OC)nc(N5CCOCC5)n4)cc3)cc2)n1.[NaH].[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
USP2 O75604 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 6/20 0.54
MAPK1 P28482 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
LMNA P02545 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGS2 P35354 2/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50

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
SCHEMBL11876083 0.88 PTGS2 (0.62) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL17328820 0.80 HSD17B10 (0.48) MEN1KMT2AUSP2HSD17B10MAPT
SCHEMBL2220181 0.79 USP2 (0.47) MEN1KMT2AUSP2HSD17B10MAPT
SCHEMBL2220185 0.79 USP2 (0.47) MEN1KMT2AUSP2HSD17B10MAPT
SCHEMBL8925967 0.78 LMNA (0.75) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL3880764 0.78 LMNA (0.75) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL23321312 0.77 LMNA (0.82) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL3115297 0.77 LMNA (0.77) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL30139086 0.77 LMNA (0.77) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL757098 0.77 LMNA (0.77) MEN1KMT2AMAPTSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345541-B1 Thermosensitive recording material and image recording method RICOH CO LTD (JP) 2012-08-29 EP disclosed
EP-2345541-A2 Thermosensitive recording material and image recording method Ricoh Company, Ltd. (JP) 2011-07-20 EP disclosed