SCHEMBL29673255

SCHEMBL29673255

COc1ccccc1-c1nnc(N)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 1.00
ALDH1A1 P00352 7/20 1.00
MGAM O43451 4/20 0.74
GAA P10253 4/20 0.74
SI P14410 4/20 0.74
MGAM2 Q2M2H8 4/20 0.74
HSD17B10 Q99714 6/20 0.59
HPGD P15428 4/20 0.59
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56
AHR P35869 1/20 0.56
TSHR P16473 1/20 0.52
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.50
APP P05067 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
SCHEMBL11335857 1.00 KDM4E (1.00) KDM4EALDH1A1MGAMGAASI
SCHEMBL6332523 0.84 ALDH1A1 (0.72) KDM4EALDH1A1MGAMGAASI
SCHEMBL11354133 0.82 KDM4E (0.69) KDM4EALDH1A1MGAMGAASI
SCHEMBL30494547 0.82 KDM4E (0.69) KDM4EALDH1A1MGAMGAASI
SCHEMBL23084672 0.81 KDM4E (0.68) KDM4EALDH1A1MGAMGAASI
SCHEMBL11337354 0.80 KDM4E (0.66) KDM4EALDH1A1MGAMGAASI
SCHEMBL971940 0.79 KDM4E (0.66) KDM4EALDH1A1MGAMGAASI
SCHEMBL31536892 0.79 ALDH1A1 (0.65) KDM4EALDH1A1MGAMGAASI
SCHEMBL23292535 0.79 MGAM (0.71) KDM4EALDH1A1MGAMGAASI
SCHEMBL11326284 0.79 ALDH1A1 (0.65) KDM4EALDH1A1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661470-A Thiadiazole urea compound or pharmaceutically acceptable salt thereof, pharmaceutical composition and application thereof 安徽医科大学 2025-03-21 CN disclosed
CN-112279845-B Aryl or heteroaryl substituted thiadiazoles compounds and antibacterial application thereof 中国医学科学院药物研究所 2023-07-28 CN disclosed
CN-108947931-B Thiazole amide compound, preparation method thereof, pharmaceutical composition and application 中国科学院上海有机化学研究所 2023-07-07 CN disclosed
CN-114585360-A Methods of using the same for the treatment of epilepsy 特维娜有限公司 2022-06-03 CN disclosed