SCHEMBL28549014

SCHEMBL28549014

Oc1ncc(Cl)c(Cl)c1Cl.[CaH2]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.35
HSD17B10 Q99714 4/20 0.35
CYP3A4 P08684 4/20 0.35
TSHR P16473 3/20 0.35
MAPK1 P28482 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
CASP1 P29466 1/20 0.32
PLAU P00749 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AKR1B1 P15121 1/20 0.30

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
SCHEMBL5898805 0.97 HPGD (0.36) HPGDHSD17B10CYP3A4TSHRMAPK1
SCHEMBL29688314 0.97 HPGD (0.36) HPGDHSD17B10CYP3A4TSHRMAPK1
SCHEMBL28550675 0.95 HPGD (0.35) HPGDHSD17B10CYP3A4TSHRMAPK1
SCHEMBL10513632 0.95 HPGD (0.35) HPGDHSD17B10CYP3A4TSHRMAPK1
SCHEMBL28710847 0.95 HPGD (0.35) HPGDHSD17B10CYP3A4TSHRMAPK1
SCHEMBL28550677 0.95 HPGD (0.35) HPGDHSD17B10CYP3A4TSHRMAPK1
SCHEMBL10513635 0.95 HPGD (0.35) HPGDHSD17B10CYP3A4TSHRMAPK1
SCHEMBL172310 0.79 HSD17B10 (0.40) HPGDHSD17B10CYP3A4TSHRMAPK1
SCHEMBL11610661 0.75 PLAU (0.33) PLAU
SCHEMBL9455819 0.75 PLAU (0.46) CYP3A4PLAUKDM4EPOLBRAB9A

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
CN-112467110-A Organic battery electrode and preparation method thereof 黄涛 2021-03-09 CN claimed
CN-112467110-A Organic battery electrode and preparation method thereof 黄涛 2021-03-09 CN disclosed