SCHEMBL28511630

SCHEMBL28511630

O=CCCN1CCCS1(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PER2 O15055 7/20 0.33
CRY1 Q16526 7/20 0.33
CRY2 Q49AN0 7/20 0.33
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL5545637 0.78 PER2 (0.37) PER2CRY1CRY2
SCHEMBL731034 0.76 PER2 (0.35) PER2CRY1CRY2
SCHEMBL14778446 0.74 PER2 (0.34) PER2CRY1CRY2
SCHEMBL5618249 0.74 PER2 (0.34) PER2CRY1CRY2
SCHEMBL2814302 0.74 PER2 (0.37) PER2CRY1CRY2
SCHEMBL10064352 0.74 ALOX15 (0.35) PER2CRY1CRY2
SCHEMBL17556143 0.74 PER2 (0.34) PER2CRY1CRY2
SCHEMBL12251949 0.74 PER2 (0.34) PER2CRY1CRY2
SCHEMBL728955 0.72 PER2 (0.33) PER2CRY1CRY2PDCD1CD274
Hydrochloric Acid SCHEMBL928210 0.72 PER2 (0.33) PER2CRY1CRY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112341521-A Small molecule active compound and antibody conjugate thereof, preparation method and medical application thereof 上海翰森生物医药科技有限公司 2021-02-09 CN disclosed