SCHEMBL28228752

SCHEMBL28228752

NC(=S)c1cccc2nc3ccccc3cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
GAA P10253 5/20 0.56
KDM4E B2RXH2 5/20 0.56
HPGD P15428 4/20 0.56
KMT2A Q03164 4/20 0.56
GLA P06280 3/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
PTBP1 P26599 1/20 0.56
RCE1 Q9Y256 1/20 0.56
MAPT P10636 4/20 0.47
ACHE P22303 2/20 0.47
IKBKB O14920 1/20 0.44
HTR3A P46098 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL30075088 0.86 ALDH1A1 (0.55) ALDH1A1GAAKDM4EHPGDKMT2A
SCHEMBL28795494 0.86 ALDH1A1 (0.55) ALDH1A1GAAKDM4EHPGDKMT2A
Thiourea SCHEMBL27997998 0.85 ALDH1A1 (0.58) ALDH1A1GAAKDM4EHPGDKMT2A
SCHEMBL154847 0.83 ALDH1A1 (0.64) ALDH1A1GAAKDM4EHPGDKMT2A
Hydrochloric Acid SCHEMBL8197602 0.81 ALDH1A1 (0.62) ALDH1A1GAAKDM4EHPGDKMT2A
SCHEMBL28061458 0.81 CA1 (0.51) ALDH1A1GAAKDM4EHPGDKMT2A
SCHEMBL222908 0.79 NR4A1 (0.60) ALDH1A1GAAKDM4EHPGDKMT2A
SCHEMBL27356901 0.79 ALDH1A1 (0.55) ALDH1A1GAAKDM4EHPGDKMT2A
SCHEMBL8850857 0.77 NR4A1 (0.58) ALDH1A1GAAKDM4EHPGDKMT2A
Water SCHEMBL7769203 0.77 NR4A1 (0.58) ALDH1A1GAAKDM4EHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108299299-A The third amino of 4- -1,8- naphthalimide -7- benzos [c] acridine thiocarbamide and its preparation method and application 广西中医药大学 2018-07-20 CN claimed
CN-108299299-A The third amino of 4- -1,8- naphthalimide -7- benzos [c] acridine thiocarbamide and its preparation method and application 广西中医药大学 2018-07-20 CN disclosed
CN-108299299-A The third amino of 4- -1,8- naphthalimide -7- benzos [c] acridine thiocarbamide and its preparation method and application 广西中医药大学 2018-07-20 CN disclosed
CN-108299299-A The third amino of 4- -1,8- naphthalimide -7- benzos [c] acridine thiocarbamide and its preparation method and application 广西中医药大学 2018-07-20 CN disclosed