SCHEMBL29488187

SCHEMBL29488187

Cc1ccccc1NC(=S)NN

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
ALDH1A1 P00352 4/20 0.61
LMNA P02545 4/20 0.61
KDM4E B2RXH2 2/20 0.61
GAA P10253 3/20 0.61
EPHX1 P07099 2/20 0.61
L3MBTL1 Q9Y468 3/20 0.59
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
ALOX12 P18054 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL5434789 1.00 MAPT (0.61) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL29522293 0.87 L3MBTL1 (0.70) MAPTALDH1A1LMNAKDM4EEPHX1
SCHEMBL1276741 0.87 L3MBTL1 (0.70) MAPTALDH1A1LMNAKDM4EEPHX1
SCHEMBL27938801 0.85 EPHX1 (0.57) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL9059553 0.82 EPHX1 (0.62) MAPTALDH1A1LMNAKDM4EEPHX1
SCHEMBL6835353 0.80 EPHX1 (0.61) MAPTALDH1A1LMNAKDM4EEPHX1
SCHEMBL194142 0.79 ALDH1A1 (0.66) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL29998429 0.79 ALDH1A1 (0.66) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL15165675 0.79 LMNA (0.54) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL11598073 0.78 ALDH1A1 (0.75) MAPTALDH1A1LMNAKDM4EEPHX1

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
WO-2022086079-A1 DERIVATIVE OF SEMICARBAZONE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF 고려대학교 산학협력단 2022-04-28 WO disclosed