SCHEMBL28486243

SCHEMBL28486243

[Pt].c1ccn2cncc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
IDO1 P14902 3/20 0.41
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
CHEK1 O14757 1/20 0.38
LIMK1 P53667 1/20 0.38
MAPK14 Q16539 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP11B2 P19099 1/20 0.36
TDO2 P48775 1/20 0.36
TBXAS1 P24557 5/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 3/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 2/20 0.34
QPCT Q16769 1/20 0.34
QPCTL Q9NXS2 1/20 0.34
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL65171 0.98
SCHEMBL2121805 0.98
SCHEMBL29974816 0.95 ALOX15 (0.48) ALOX15IDO1KDM4EALDH1A1MAPT
Iodomethane SCHEMBL11535813 0.91 ALOX15 (0.44) ALOX15IDO1KDM4EALDH1A1MAPT
SCHEMBL21067212 0.82 DYRK1A (0.37) ALOX15IDO1KDM4EALDH1A1MAPT
SCHEMBL15992695 0.79 PRKCI (0.35) ALOX15IDO1QPCTQPCTLPRKCI
SCHEMBL4706409 0.78 ALOX15 (0.46) ALOX15IDO1KDM4EALDH1A1MAPT
SCHEMBL31647095 0.76
Hydrochloric Acid SCHEMBL15547740 0.75 MTOR (0.50) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL9399738 0.75 IDO1 (0.36) IDO1ALDH1A1TDP1TDO2TBXAS1

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-111995516-B Synthesis method of difluoro acetyl fluoride 科莱博(江苏)科技股份有限公司 2023-08-04 CN disclosed
CN-111995516-A Synthesis method of difluoroacetyl fluoride 宿迁市科莱博生物化学有限公司 2020-11-27 CN disclosed