SCHEMBL5695271

SCHEMBL5695271

COc1ccc(NC(=S)NCCO)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
HPGD P15428 4/20 0.72
GAA P10253 5/20 0.70
ALOX12 P18054 3/20 0.67
HTT P42858 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPT P10636 2/20 0.67
LMNA P02545 2/20 0.67
RECQL P46063 1/20 0.67
POLB P06746 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL11770005 0.86 KMT2A (0.69) ALDH1A1HPGDGAAALOX12HTT
SCHEMBL11794982 0.82 POLB (0.60) ALDH1A1HPGDGAAALOX12HTT
SCHEMBL11770050 0.81 ALOX12 (0.72) ALDH1A1HPGDGAAALOX12HTT
SCHEMBL11546965 0.80 ALDH1A1 (0.84) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL24742586 0.80 HPGD (0.60) ALDH1A1HPGDGAAALOX12HTT
SCHEMBL10488599 0.79 ALDH1A1 (0.81) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL2434485 0.79 ALDH1A1 (0.57) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL6816667 0.78 ALDH1A1 (0.84) ALDH1A1HPGDGAAALOX12SMN1; SMN2
SCHEMBL11771677 0.77 ALDH1A1 (0.72) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL5454882 0.77 ALDH1A1 (0.69) ALDH1A1HPGDGAAALOX12HTT

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
US-3975433-A ANTIDEPRESSANT, PARASITICIDE THE DOW CHEMICAL COMPANY (US) 1976-08-17 US claimed
US-3969532-A 1-Aryl-3-(2-hydroxyethyl) thioureas for treating depression THE DOW CHEMICAL COMPANY (US) 1976-07-13 US claimed
EP-1228172-B1 SUBSTITUTED LINEAR THIOUREA COMPOUNDS AS ADDITIVES FOR LUBRICANTS CHEMTURA CORP (US) 2006-05-31 EP disclosed
US-3975433-A ANTIDEPRESSANT, PARASITICIDE THE DOW CHEMICAL COMPANY (US) 1976-08-17 US disclosed
US-3975433-A ANTIDEPRESSANT, PARASITICIDE THE DOW CHEMICAL COMPANY (US) 1976-08-17 US disclosed
US-3975433-A ANTIDEPRESSANT, PARASITICIDE THE DOW CHEMICAL COMPANY (US) 1976-08-17 US disclosed
US-3969532-A 1-Aryl-3-(2-hydroxyethyl) thioureas for treating depression THE DOW CHEMICAL COMPANY (US) 1976-07-13 US disclosed