SCHEMBL7074293

SCHEMBL7074293

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ATM Q13315 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA12 O43570 1/20 0.56
CA4 P22748 1/20 0.56
CA9 Q16790 1/20 0.56
ALOX5 P09917 1/20 0.56
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPN6 P29350 1/20 0.55
PTPN11 Q06124 1/20 0.55
CES1 P23141 1/20 0.55
PKM P14618 1/20 0.54

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
SCHEMBL2879966 0.98 MEN1 (0.66) MEN1KMT2AATML3MBTL1MAPT
SCHEMBL11309248 0.96 MEN1 (0.68) MEN1KMT2AATML3MBTL1MAPT
SCHEMBL3648092 0.94 MEN1 (0.61) MEN1KMT2AATML3MBTL1MAPT
SCHEMBL813536 0.93 KMT2A (0.71) MEN1KMT2AATML3MBTL1MAPT
SCHEMBL3651259 0.92 CA12 (0.68) MEN1KMT2AATML3MBTL1MAPT
SCHEMBL18725874 0.92 MEN1 (0.59) MEN1KMT2AATML3MBTL1MAPT
SCHEMBL10937479 0.92 ATM (0.64) MEN1KMT2AATML3MBTL1MAPT
SCHEMBL3649474 0.92 CA12 (0.68) MEN1KMT2AATML3MBTL1MAPT
SCHEMBL1892189 0.92 ATM (0.60) MEN1KMT2AATML3MBTL1MAPT
SCHEMBL16179016 0.92 MEN1 (0.59) MEN1KMT2AATML3MBTL1MAPT

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-0984026-B1 Polyurea elastomeric microcellular foam AIR PROD & CHEM (US) 2003-11-12 EP disclosed
EP-0984026-A1 Polyurea elastomeric microcellular foam AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-03-08 EP disclosed
US-6020392-A REACTING POLYISOCYANATE AND DIAMINE IN PRESENCE OF BLOWING AGENT AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-02-01 US disclosed