SCHEMBL11799485

SCHEMBL11799485

OCCc1cccc(-n2nc3ccccc3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
HPGD P15428 4/20 0.50
ALDH1A1 P00352 6/20 0.44
POLB P06746 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
STAT1 P42224 1/20 0.40
LMNA P02545 2/20 0.38
PARP1 P09874 1/20 0.38
ADORA2A P29274 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL27588220 0.86 KDM4E (0.53) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL12306715 0.82 KDM4E (0.57) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL28560255 0.82 ALDH1A1 (0.54) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL15147200 0.81 KEAP1 (0.51) KDM4EHPGDPARP1ADORA2A
SCHEMBL11296815 0.81 KDM4E (0.55) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL7570255 0.80 KDM4E (0.42) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL27550693 0.78 DHFR (0.52) KDM4EHPGDTDP1MAPT
SCHEMBL18593568 0.78 KDM4E (0.73) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL10729268 0.77 ALDH1A1 (0.40) KDM4EHPGDALDH1A1HSD17B10ALOX15
SCHEMBL7575228 0.76 KDM4E (0.64) KDM4EHPGDALDH1A1POLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4000101-A POLYPROPYLENE WESTON CHEMICAL CORPORATION (US) 1976-12-28 US disclosed
US-3959220-A Polymer additives comprising transition metal complexes with trivalent phosphorous compounds CINCINNATI MILACRON CHEMICALS, INC. (US) 1976-05-25 US disclosed