SCHEMBL8300965

SCHEMBL8300965

COC(=O)/C=C/c1[nH]cc([N+](=O)[O-])c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TYR P14679 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
NLRP1 Q9C000 1/20 0.36

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
SCHEMBL8319779 0.84 MAPT (0.46) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL8319090 0.84 MAPT (0.46) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL5313843 0.73 KDM4E (0.42) RAB9AKMT2AALDH1A1MAPTMAPK1
SCHEMBL1932513 0.71 MEN1 (0.55) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL16971212 0.71 POLB (0.44) POLBRAB9AMEN1KMT2ACA12
SCHEMBL4703943 0.71 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL12869663 0.71 ALDH1A1 (0.44) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL8319773 0.70 MEN1 (0.47) POLBRAB9AMEN1KMT2ACA12
SCHEMBL1019784 0.69 MEN1 (0.71) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL6677087 0.69 MEN1 (0.71) POLBRAB9AMEN1KMT2AALDH1A1

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-0944596-A1 SECO PRECURSORS OF CYCLOPROPYLINDOLINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-09-29 EP disclosed
WO-1998025898-A1 SECO PRECURSORS OF CYCLOPROPYLINDOLINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-06-18 WO disclosed