SCHEMBL5897540

SCHEMBL5897540

NC(=S)N(C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.39
PARP1 P09874 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL11066771 0.87 ALDH1A1 (0.56) ALDH1A1NPSR1TSHRMAPTL3MBTL1
SCHEMBL27736663 0.83 ALDH1A1 (0.52) ALDH1A1NPSR1TSHRMAPTL3MBTL1
SCHEMBL7080162 0.82 NPSR1 (0.46) ALDH1A1NPSR1TSHRMAPTL3MBTL1
SCHEMBL1409829 0.82 NPSR1 (0.46) ALDH1A1NPSR1TSHRMAPTL3MBTL1
SCHEMBL2762261 0.82 ALDH1A1 (0.50) ALDH1A1NPSR1TSHRMAPTL3MBTL1
SCHEMBL891832 0.81 NPSR1 (0.55) ALDH1A1NPSR1TSHRL3MBTL1POLB
SCHEMBL7361311 0.78 NPSR1 (0.43) ALDH1A1NPSR1TSHRMAPTL3MBTL1
SCHEMBL11134255 0.78 ALDH1A1 (0.56) ALDH1A1TSHRMAPTL3MBTL1HSD17B10
SCHEMBL3079487 0.77 ALDH1A1 (0.57) ALDH1A1TSHRMAPTL3MBTL1POLB
SCHEMBL5706292 0.77 NPSR1 (0.56) ALDH1A1NPSR1TSHRL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144989-B2 Pegylated non-hypertensive hemoglobins, methods of preparing same, and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2006-12-05 US claimed
US-20050159339-A1 Pegylated non-hypertensive hemoglobins, methods of preparing same, and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2005-07-21 US claimed
CN-108355614-A A kind of preparation method of selectivity solid extracting agent 济南大学 2018-08-03 CN disclosed
US-5196563-A Insecticides, miticides, fungicides CIBA-GEIGY CORPORATION (US) 1993-03-23 US disclosed
US-5196563-A Insecticides, miticides, fungicides CIBA-GEIGY CORPORATION (US) 1993-03-23 US disclosed
US-5196563-A Insecticides, miticides, fungicides CIBA-GEIGY CORPORATION (US) 1993-03-23 US disclosed
US-4908383-A Pesticides CIBA-GEIGY CORPORATION (US) 1990-03-13 US disclosed
US-4908383-A Pesticides CIBA-GEIGY CORPORATION (US) 1990-03-13 US disclosed
US-4908383-A Pesticides CIBA-GEIGY CORPORATION (US) 1990-03-13 US disclosed