SCHEMBL28034285

SCHEMBL28034285

COCCCCc1c(C(=O)[CH]C(C)C)nnn1-c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.39
KCNN4 O15554 7/20 0.36
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
CTSA P10619 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
MET P08581 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
SCHEMBL28034288 0.85 REN (0.47) RENSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL1423244 0.85 REN (0.40) RENKCNN4NPSR1SMN1; SMN2ALDH1A1
SCHEMBL3456050 0.77 KCNN4 (0.42) KCNN4NPSR1SMN1; SMN2ALDH1A1CTSA
SCHEMBL2219776 0.77 REN (0.37) RENKCNN4SMN1; SMN2ALDH1A1LMNA
SCHEMBL1422745 0.73 HTT (0.42) RENALDH1A1LMNAKDM4EMEN1
SCHEMBL2221206 0.73 ALDH1A1 (0.39) RENSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL12441525 0.73 REN (0.58) REN
SCHEMBL2220615 0.73 REN (0.51) REN
SCHEMBL12441480 0.73 REN (0.60) REN
SCHEMBL12441484 0.73 REN (0.60) REN

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-103373985-B Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2015-10-28 CN disclosed