SCHEMBL20217486

SCHEMBL20217486

NCC1(CC2CCC(F)CC2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
CACNA2D1 P54289 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCN1A P35498 1/20 0.32
SCN4A P35499 1/20 0.32
SCN7A Q01118 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
SCN11A Q9UI33 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 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
SCHEMBL31118157 0.79 USP2 (0.38) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL24230066 0.74
SCHEMBL20590556 0.73 LMNA (0.43) USP2ALDH1A1LMNACYP1A2TSHR
Hydrochloric Acid SCHEMBL25242545 0.72
SCHEMBL5141030 0.69
SCHEMBL9821146 0.69 CHRM5 (0.33) CYP1A2SCN1ASCN4ASCN7AKCNH2
SCHEMBL23070862 0.69 SIGMAR1 (0.31)
SCHEMBL4048080 0.68 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL671851 0.68 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL980620 0.68 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR

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
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed