SCHEMBL29033294

SCHEMBL29033294

NC(CCC(N)OP(=O)(O)OP(=O)(O)O)Cc1ccnc2cc(Cl)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NSD1 Q96L73 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR4A2 P43354 2/20 0.37
SOS2 Q07890 1/20 0.37
PRNP P04156 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.34
FERMT2 Q96AC1 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CCR1 P32246 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IDE P14735 1/20 0.33
GLA P06280 1/20 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
SCHEMBL6661655 0.73 FERMT2 (0.53) MAPTNR4A2SOS2PRNPKMT2A
SCHEMBL16568038 0.68 KCNH2 (0.61) MAPTKDM4ENSD1HSD17B10NR4A2
Pyrophosphoric Acid SCHEMBL29578167 0.63 KDM4E (0.73) MAPTKDM4ENSD1HSD17B10NR4A2
SCHEMBL8066565 0.63 NR4A2 (0.58) MAPTKDM4EHSD17B10NR4A2SOS2
SCHEMBL8367161 0.63 NR4A2 (0.58) MAPTKDM4EHSD17B10NR4A2SOS2
SCHEMBL4365534 0.61 FERMT2 (0.55) MAPTKDM4EHSD17B10NR4A2SOS2
SCHEMBL15102977 0.60 GABBR2 (0.36) KMT2ALMNACYP1A2TDP1
SCHEMBL8936216 0.59 POLB (0.44) MAPTKDM4ENSD1HSD17B10NR4A2
SCHEMBL7538942 0.59 LAP3 (0.53) TSHR
SCHEMBL5275609 0.59 NR4A2 (0.56) MAPTKDM4EHSD17B10NR4A2SOS2

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
CN-111272937-B Method for detecting related substances in chloroquine phosphate tablet 广州白云山光华制药股份有限公司 2023-07-18 CN disclosed