SCHEMBL11329136

SCHEMBL11329136

O=[C]C(=NOc1ccccc1)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 2/20 0.42
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
MAPT P10636 3/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSP90AA1 P07900 1/20 0.40
AGTR1 P30556 1/20 0.40
PAX8 Q06710 1/20 0.40
TLR9 Q9NR96 1/20 0.40
PTPN1 P18031 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
SCHEMBL11329134 1.00 SMN1; SMN2 (0.44) SMN1; SMN2TP53LMNAPKMKMT2A
SCHEMBL6878184 0.79 CES2 (0.47) SMN1; SMN2TP53LMNAPKMKMT2A
SCHEMBL6878186 0.79 CES2 (0.47) SMN1; SMN2TP53LMNAPKMKMT2A
SCHEMBL9143119 0.79 CES2 (0.47) SMN1; SMN2TP53LMNAPKMKMT2A
SCHEMBL11134142 0.77 SMN1; SMN2 (0.51) SMN1; SMN2TP53LMNAPKMKMT2A
SCHEMBL11327758 0.76 PGR (0.36) SMN1; SMN2LMNAPKMALDH1A1TSHR
SCHEMBL11327754 0.76 PGR (0.36) SMN1; SMN2LMNAPKMALDH1A1TSHR
SCHEMBL11535484 0.76 SMN1; SMN2 (0.49) SMN1; SMN2TP53LMNAPKMKMT2A
SCHEMBL9864807 0.76 PTPN1 (0.41) SMN1; SMN2PKMKMT2AALDH1A1HPGD
SCHEMBL9864813 0.76 PTPN1 (0.41) SMN1; SMN2PKMKMT2AALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4256739-A 7β-Amino-3-thio-3-cephem-4-carboxylic acid compounds, and antibacterial compositions and methods using them CIBA-GEIGY CORPORATION (US) 1981-03-17 US disclosed