SCHEMBL29132349

SCHEMBL29132349

COc1cc(C(N)=O)c(C(=O)C(CCCNC(=N)N)NC(=O)CN)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.35
NPY1R P25929 4/20 0.34
NPY4R P50391 4/20 0.34
NPY5R Q15761 4/20 0.34
NPY2R P49146 1/20 0.34
AURKA O14965 3/20 0.34
RPS6KB1 P23443 3/20 0.34
AURKB Q96GD4 1/20 0.34
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
QRFPR Q96P65 1/20 0.33
TGM2 P21980 1/20 0.33
MC4R P32245 3/20 0.33
P2RY12 Q9H244 1/20 0.33

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
Hydrochloric Acid SCHEMBL28458628 0.99 C3AR1 (0.35) C3AR1NPY1RNPY4RNPY5RNPY2R
SCHEMBL28119580 0.79 C3AR1 (0.34) C3AR1NPY1RNPY4RNPY5RNPY2R
SCHEMBL28595326 0.77 KDM4E (0.38) NPY1RNPY4RNPY5RNPY2R
SCHEMBL28595330 0.77 KDM4E (0.38) NPY1RNPY4RNPY5RNPY2R
SCHEMBL28151266 0.77 NPY4R (0.35) C3AR1NPY1RNPY4RNPY5RNPY2R
Hydrochloric Acid SCHEMBL28458668 0.76 KDM4E (0.38) NPY1RNPY4RNPY5RNPY2R
SCHEMBL8514657 0.76 NPY1R (0.36) NPY1RNPY4RNPY5RNPY2RQRFPR
Hydrochloric Acid SCHEMBL28458664 0.75 NPY1R (0.36) NPY1RNPY4RNPY5RNPY2RQRFPR
Hydrochloric Acid SCHEMBL28458629 0.73 CARM1 (0.32)
SCHEMBL28119302 0.72 NPY4R (0.34) C3AR1NPY1RNPY4RNPY5RNPY2R

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-114317678-B Biological paper chip, high-throughput multi-detection microplate device, preparation method and kit for vaginal inflammation multi-detection 港龙生物技术(深圳)有限公司 2023-11-10 CN disclosed