SCHEMBL9420481

SCHEMBL9420481

O=C(OCCOCCOCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
ATM Q13315 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
ALOX5 P09917 1/20 0.55
CES1 P23141 1/20 0.53
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRB3 P13945 2/20 0.52
KCNJ1 P48048 1/20 0.52
KCNH2 Q12809 1/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
TSHR P16473 1/20 0.50
GSK3B P49841 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
SCHEMBL9420555 1.00 KMT2A (0.66) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL9420548 1.00 KMT2A (0.66) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL813536 0.95 KMT2A (0.71) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL10524262 0.94 KMT2A (0.59) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL30704446 0.92 MAPT (0.63) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL11569186 0.90 ATM (0.60) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL11956796 0.89 MEN1 (0.57) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL11956797 0.89 MEN1 (0.58) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL13224188 0.89 MEN1 (0.54) KMT2AMEN1ATML3MBTL1MAPT
SCHEMBL11309248 0.88 MEN1 (0.68) KMT2AMEN1ATML3MBTL1MAPT

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
EP-0328585-B1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC (US) 1994-09-07 EP disclosed
EP-0328585-A4 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES 1991-06-05 EP disclosed
EP-0328585-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC. (US) 1989-08-23 EP disclosed
US-4829099-A SURGERY, POLYISOCYANATES, POLYISOTHIOCYANATES BIORESEARCH, INC. (US) 1989-05-09 US disclosed
WO-1989000589-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH, INC. (US) 1989-01-26 WO disclosed
US-4246392-A Method for the preparation of polyurethane elastomers based on polyethyleneglycol-bis(4-aminobenzoates) IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-01-20 US disclosed