SCHEMBL11535484

SCHEMBL11535484

O=C(O)C(=NOc1ccccc1)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.49
PTPN1 P18031 1/20 0.49
MAPT P10636 4/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 3/20 0.47
PKM P14618 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42

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
SCHEMBL11134142 0.88 SMN1; SMN2 (0.51) SMN1; SMN2TP53LMNAPTPN1MAPT
SCHEMBL11134139 0.88 SMN1; SMN2 (0.47) SMN1; SMN2TP53LMNAPTPN1MAPT
SCHEMBL11134141 0.88 SMN1; SMN2 (0.47) SMN1; SMN2TP53LMNAPTPN1MAPT
SCHEMBL2812477 0.80 CES2 (0.52) SMN1; SMN2TP53PTPN1RAB9ANPC1
SCHEMBL11457463 0.80 CES2 (0.52) SMN1; SMN2TP53PTPN1RAB9ANPC1
SCHEMBL4609969 0.80 CES2 (0.52) SMN1; SMN2TP53PTPN1RAB9ANPC1
Ammonia Solution, Strong SCHEMBL28417876 0.79 CES2 (0.50) SMN1; SMN2TP53PTPN1RAB9ANPC1
Ammonia Solution, Strong SCHEMBL4752940 0.79 CES2 (0.50) SMN1; SMN2TP53PTPN1RAB9ANPC1
Ammonia Solution, Strong SCHEMBL5211578 0.79 CES2 (0.50) SMN1; SMN2TP53PTPN1RAB9ANPC1
SCHEMBL11329136 0.76 SMN1; SMN2 (0.44) SMN1; SMN2TP53LMNAPTPN1MAPT

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-4138555-A BACTERICIDES GLAXO LABORATORIES, LIMITED (GB) 1979-02-06 US disclosed