SCHEMBL29825554

SCHEMBL29825554

CN(C)c1ccc(N=C=S)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ABCB11 O95342 1/20 0.50
NR3C1 P04150 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ADRA2C P18825 1/20 0.50
MAOA P21397 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR2B P41595 1/20 0.50
CCR2 P41597 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CHEK1 O14757 1/20 0.47
NEK2 P51955 1/20 0.47
LIMK1 P53667 1/20 0.47

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
SCHEMBL592754 1.00 ALDH1A1 (0.50) ALDH1A1TDP1ABCB11NR3C1CYP1A2
SCHEMBL28450927 0.89 ALDH1A1 (0.55) ALDH1A1TDP1ABCB11NR3C1CYP1A2
SCHEMBL10530605 0.83 ALDH1A1 (0.45) ALDH1A1TDP1ABCB11NR3C1CYP1A2
SCHEMBL5380803 0.82 ALDH1A1 (0.68) ALDH1A1TDP1ABCB11NR3C1CYP1A2
SCHEMBL28174947 0.82 CHEK1 (0.47) ALDH1A1TDP1CHEK1NEK2LIMK1
SCHEMBL14180515 0.82 TDP1 (0.48) ALDH1A1TDP1CYP1A2CYP3A4HPGD
SCHEMBL11720765 0.81 ALDH1A1 (0.46) ALDH1A1TDP1ABCB11NR3C1CYP1A2
SCHEMBL5725150 0.77 ALDH1A1 (0.51) ALDH1A1TDP1ABCB11NR3C1CYP1A2
SCHEMBL8990307 0.76 CHEK1 (0.73) ALDH1A1TDP1CYP1A2CHEK1NEK2
SCHEMBL6390165 0.76 ALDH1A1 (0.55) ALDH1A1TDP1ABCB11NR3C1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240418689-A1 Detection Method of Polyamines, and Diagnostic Method of Cancers Using the Same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2024-12-19 US claimed
EP-4280882-A2 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. (US) 2023-11-29 EP claimed
WO-2022159439-A2 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. (US) 2022-07-28 WO claimed
US-20240418689-A1 Detection Method of Polyamines, and Diagnostic Method of Cancers Using the Same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2024-12-19 US disclosed
EP-4280882-A2 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. (US) 2023-11-29 EP disclosed
WO-2022159439-A2 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. (US) 2022-07-28 WO disclosed