SCHEMBL5046739

SCHEMBL5046739

[N-]=[N+]=C(C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 1/20 0.47
EGFR P00533 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
JAK1 P23458 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL3644582 0.80 CES2 (0.49) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL30031785 0.80 CES2 (0.49) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL29556924 0.79 CES2 (0.47) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL993397 0.78 CES1 (0.46) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL17801512 0.76 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL30648242 0.75 CES2 (0.54) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL30648236 0.75 CES2 (0.54) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL30648237 0.75 CES2 (0.54) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL11300618 0.75 CES2 (0.54) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL1697489 0.75 CES2 (0.79) CES2CES1MEN1KMT2ASMN1; SMN2

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-2004591-A1 CYCLOPROPANES WITH CENTRAL NERVOUS SYSTEM ACTIVITY The Research Foundation Of State University Of New York (US) 2008-12-24 EP disclosed
WO-2008127223-A1 CYCLOPROPANES WITH CENTRAL NERVOUS SYSTEM ACTIVITY THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-10-23 WO disclosed