SCHEMBL7918663

SCHEMBL7918663

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 6/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX12 P18054 1/20 0.43
XBP1 P17861 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.40

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
SCHEMBL7915297 0.83 KMT2A (0.47) MAPTKMT2AMEN1LMNAHTT
SCHEMBL4623724 0.81 ALDH1A1 (0.57) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL7908561 0.78 NPC1 (0.54) MAPTGAAKMT2AMEN1NPC1
SCHEMBL7918203 0.77 SMN1; SMN2 (0.41) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL3090261 0.76 KMT2A (0.56) MAPTGAAKMT2AMEN1RAB9A
SCHEMBL11858419 0.74 ALDH1A1 (0.53) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL11643606 0.72 KMT2A (0.59) MAPTGAAKMT2AMEN1RAB9A
SCHEMBL10305757 0.72 SIRT2 (0.47) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL358841 0.71 NPC1 (0.48) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9163164 0.70 MAPT (0.48) MAPTGAAKMT2AMEN1LMNA

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