SCHEMBL11091089

SCHEMBL11091089

O=C(OCc1ccccc1)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.57
CTSL P07711 4/20 0.57
ALDH1A1 P00352 4/20 0.55
ABCB1 P08183 1/20 0.55
MAPT P10636 5/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL5299658 0.91 ABCB1 (0.55) CTSVCTSLALDH1A1ABCB1MAPT
SCHEMBL30892476 0.90 MYC (0.55) CTSVCTSLALDH1A1ABCB1MAPT
SCHEMBL7342938 0.90 MYC (0.55) CTSVCTSLALDH1A1ABCB1MAPT
SCHEMBL751415 0.89 KMT2A (0.62) CTSVCTSLALDH1A1ABCB1MAPT
SCHEMBL6813421 0.89 ALDH1A1 (0.69) ALDH1A1ABCB1MAPTKMT2AMEN1
SCHEMBL750245 0.88 CTSV (0.63) CTSVCTSLABCB1MAPTKMT2A
SCHEMBL965943 0.86 ALDH1A1 (0.63) CTSVCTSLALDH1A1ABCB1MAPT
SCHEMBL16004968 0.86 ABCB1 (0.59) CTSVCTSLABCB1MAPTKMT2A
SCHEMBL9658186 0.86 CTSV (0.58) CTSVCTSLALDH1A1ABCB1MAPT
SCHEMBL750963 0.86 CTSV (0.58) CTSVCTSLALDH1A1ABCB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4457872-A IMMUNOREGULATORY Yamanouchi Pharmaceutical Co. (JP) 1984-07-03 US disclosed
EP-0030436-B1 2-HYDROXYOXANILIC ACID DERIVATIVES AND SALTS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1984-05-09 EP disclosed
EP-0030436-A1 2-Hydroxyoxanilic acid derivatives and salts, their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-06-17 EP disclosed