SCHEMBL8700562

SCHEMBL8700562

N=C(N)NC(=O)c1cc(CO)cc(-n2cccc2)c1.O=S(=O)(O)CCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 3/20 0.36
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
BRCA1 P38398 1/20 0.33
HTT P42858 1/20 0.33
GMNN O75496 1/20 0.33
PKM P14618 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
RAD52 P43351 1/20 0.32

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
SCHEMBL8707029 0.91 AOC2 (0.39) AOC2POLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL8300855 0.90 AOC2 (0.43) AOC2POLBSMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8702987 0.89 AOC2 (0.43) AOC2POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL7816169 0.80 SLC9A1 (0.36) AOC2VHLELOCELOB
SCHEMBL8699333 0.78 AOC2 (0.47) AOC2POLBSMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8704665 0.77 AOC2 (0.41) AOC2POLBSMN1; SMN2ALDH1A1LMNA
Guanidine SCHEMBL8700560 0.76 AOC2 (0.33) AOC2VHLELOCELOB
Hydrochloric Acid SCHEMBL8706003 0.75 AOC2 (0.39) AOC2POLBSMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8704074 0.75 SMN1; SMN2 (0.40) AOC2POLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL8701427 0.74 AOC2 (0.40) AOC2LMNABLM

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-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed