SCHEMBL7918648

SCHEMBL7918648

O=C(NCCO)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
POLB P06746 2/20 0.50
CASR P41180 1/20 0.50
KMT2A Q03164 9/20 0.49
MEN1 O00255 8/20 0.49
MAPT P10636 4/20 0.49
DDX3X O00571 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
CNR1 P21554 1/20 0.47
ALDH1A1 P00352 4/20 0.46
PKM P14618 1/20 0.46
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL5478291 0.84 POLB (0.69) HTTPOLBKMT2AMEN1MAPT
SCHEMBL20799607 0.82 KMT2A (0.54) HTTPOLBCASRKMT2AMEN1
SCHEMBL20799602 0.81 CASR (0.53) HTTPOLBCASRKMT2AMEN1
SCHEMBL7915297 0.78 KMT2A (0.47) HTTPOLBCASRKMT2AMEN1
SCHEMBL5922524 0.78 KMT2A (0.50) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL9357972 0.77 HTT (0.60) HTTPOLBKMT2AMEN1MAPT
SCHEMBL9516997 0.77 PKM (0.59) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL20323996 0.76 KMT2A (0.54) HTTPOLBCASRKMT2AMEN1
SCHEMBL27929224 0.75 HTT (0.66) HTTPOLBKMT2AMEN1MAPT
SCHEMBL7550117 0.75 CXCR1 (0.61) HTTPOLBKMT2AMEN1MAPT

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
US-6200831-B1 HEAT-CURING A COATING OF A POLYAMIC ACID BASED ON A TETRACARBOXYLIC ACID AND A DIAMINE CONTAINNG AN ACTIVE OXYGEN OR NITROGEN FUNCTIONAL GROUP; SEALING THE EXTERNAL TERMINALS WITH A RESIN, E.G. AN EPOXIDE HITACHI, LTD. (JP) 2001-03-13 US disclosed
US-6087006-A SEMICONDUCTOR DEVICE HAVING SURFACE-PROTECTING FILM COMPRISING POLYIMIDE OBTAINED BY HEAT-CURING PRECURSOR HAVING POLAR SUBSTITUENTS AS THE SIDE CHAINS HITACHI, LTD. (JP) 2000-07-11 US disclosed