SCHEMBL456128

SCHEMBL456128

CCc1ccc(NC(=S)NN)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 3/20 0.59
GAA P10253 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
RAB9A P51151 5/20 0.58
POLB P06746 1/20 0.58
IDO1 P14902 5/20 0.58
NPC1 O15118 3/20 0.54
HPGD P15428 1/20 0.54
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL9453953 0.88 RAB9A (0.66) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
Alcohol SCHEMBL28252002 0.84 IDO1 (0.58) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL455344 0.83 IDO1 (0.78) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL17637653 0.83 RAB9A (0.57) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL23022690 0.82 IDO1 (0.60) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL27602582 0.82 IDO1 (0.60) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL17469336 0.82 ALDH1A1 (0.64) MAPTSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL14386215 0.81 SMN1; SMN2 (0.68) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL5445603 0.81 SMN1; SMN2 (0.73) MAPTSMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL17637677 0.80 TAAR1 (0.62) MAPTSMN1; SMN2ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115449136-B Accelerator composition of rubber nanocomposite as well as preparation method and application thereof 浙江大学 2024-02-27 CN claimed
CN-115449136-A Accelerator composition of rubber nanocomposite and preparation method and application thereof 浙江大学 2022-12-09 CN claimed
CN-122010896-A Bicyclol derivative, pharmaceutical composition thereof, preparation method and application thereof 中国医学科学院药物研究所 2026-05-12 CN disclosed
CN-115449136-A Accelerator composition of rubber nanocomposite and preparation method and application thereof 浙江大学 2022-12-09 CN disclosed
CN-102010420-B [ (10S) -9, 10-dihydroartemisinin-10-oxy ] benzaldehyde semicarbazone (sulfur) series substance and preparation method and application thereof UNIV SHENYANG PHARMACEUTICAL 2013-11-27 CN disclosed
WO-2012033601-A1 THIOSEMICARBAZONES WITH MDR1 - INVERSE ACTIVITY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2012-03-15 WO disclosed
CN-102010420-A [ (10S) -9, 10-dihydroartemisinin-10-oxy ] benzaldehyde semicarbazone (sulfur) series substance and preparation method and application thereof UNIV SHENYANG PHARMACEUTICAL 2011-04-13 CN disclosed