SCHEMBL18686191

SCHEMBL18686191

O=C(O)c1cc(=O)c2cc(N=Nc3ccc4oc(C(=O)O)cc(=O)c4c3)ccc2o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
CSNK2A1 P68400 4/20 0.61
CSNK2A2 P19784 3/20 0.61
CSNK2B P67870 3/20 0.61
CSNK2A3 Q8NEV1 3/20 0.61
KDM4E B2RXH2 3/20 0.61
USP2 O75604 1/20 0.61
PTGS1 P23219 1/20 0.61
PIM1 P11309 4/20 0.54
AKR1B1 P15121 1/20 0.54
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOB P27338 5/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL15832597 1.00 ALDH1A1 (0.65) ALDH1A1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL18686193 0.83 ALDH1A1 (0.47) ALDH1A1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL18686192 0.83 ALDH1A1 (0.47) ALDH1A1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL4256569 0.80 ALDH1A1 (0.69) ALDH1A1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL18144902 0.80 ALDH1A1 (0.69) ALDH1A1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL2976354 0.80 AKR1B1 (0.76) ALDH1A1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL1504213 0.79 ALDH1A1 (1.00) ALDH1A1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL379054 0.79 ALDH1A1 (0.67) ALDH1A1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL2769879 0.79 ALDH1A1 (0.67) ALDH1A1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL2318176 0.79 ALDH1A1 (0.67) ALDH1A1CSNK2A1CSNK2A2CSNK2BCSNK2A3

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
EP-2935252-B1 NOVEL BIS-CHROMONE DERIVATIVES, METHODS FOR THEIR PREPARATION AND USES THEREOF UNIV GRONINGEN (NL) 2017-04-05 EP claimed