SCHEMBL31411573

SCHEMBL31411573

O=C(Nc1c[nH]c2ccccc12)c1cc2c(s1)SCC(=O)N2Cc1ccoc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.34
DHPS P49366 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADRB3 P13945 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
AGTR1 P30556 1/20 0.34
MC4R P32245 1/20 0.34
PTGS2 P35354 1/20 0.34
SLC6A3 Q01959 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
STING1 Q86WV6 3/20 0.34
SRPK1 Q96SB4 3/20 0.34
HRH3 Q9Y5N1 1/20 0.33
EDNRA P25101 1/20 0.32

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
SCHEMBL31411822 0.90 SIRT2 (0.39) CFTRDHPSADORA3ADRB3TBXA2R
SCHEMBL31411775 0.90 TP53 (0.33) MAPTSRPK1
SCHEMBL31411670 0.86 MAPT (0.43) POLBMAPTSTING1SRPK1
SCHEMBL31411624 0.86 DHPS (0.35) CFTRDHPSADORA3ADRB3TBXA2R
SCHEMBL31411622 0.85 DHPS (0.35) CFTRDHPSADORA3ADRB3TBXA2R
SCHEMBL31411701 0.85 SMN1; SMN2 (0.38) CFTRDHPSADORA3ADRB3TBXA2R
SCHEMBL31411744 0.84 MAPT (0.44) POLBMAPT
SCHEMBL31411719 0.84 MAPT (0.50) POLBMAPT
SCHEMBL31411593 0.82 DHPS (0.37) CFTRDHPSADORA3ADRB3TBXA2R
SCHEMBL31411661 0.82 DHPS (0.37) CFTRDHPSADORA3ADRB3TBXA2R

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-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed