SCHEMBL9764214

SCHEMBL9764214

CCCc1c(CCC)c(CCC)c2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1CCC)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DHFR P00374 3/20 0.36
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL6843066 0.92 HSD17B10 (0.49) KDM4EALDH1A1HPGDGAATSHR
Water SCHEMBL5058850 0.89 HSD17B10 (0.47) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL8958264 0.89 HSD17B10 (0.44) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL8958281 0.87 HSD17B10 (0.43) KDM4EALDH1A1HPGDGAATSHR
Hydrochloric Acid SCHEMBL5153564 0.87 HSD17B10 (0.43) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL706760 0.86 HSD17B10 (0.44) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL7722134 0.85 HSD17B10 (0.41) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL7572887 0.85 HSD17B10 (0.41) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL8958670 0.85 HSD17B10 (0.41) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL7571534 0.85 HSD17B10 (0.41) KDM4EALDH1A1HPGDGAATSHR

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-5018380-A Organometallic gas carrier in interpenetrating polymer network ALLIED-SIGNAL INC. (US) 1991-05-28 US disclosed
US-4627859-A ORGANOMETALLIC GAS CARRIER INTERDISPERSED IN INTERPENE TRATING POLYMER NETWORK MATRIX ALLIED CORPORATION (US) 1986-12-09 US disclosed