SCHEMBL24674967

SCHEMBL24674967

CN1C(=O)C2CB(C#N)CCN2c2ncc(C(F)(F)F)cc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 6/20 0.40
LMNA P02545 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MDM2 Q00987 2/20 0.33
SCN10A Q9Y5Y9 6/20 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
SCHEMBL24674692 0.81
SCHEMBL24675551 0.79 KMT2A (0.42) TIPARPALDH1A1MDM2SCN10A
SCHEMBL26958203 0.77 TIPARP (0.48) TIPARPLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL24640749 0.75 TIPARP (0.45) TIPARP
SCHEMBL24640355 0.75 TIPARP (0.47) TIPARPLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL24675189 0.75 TIPARP (0.45) TIPARP
SCHEMBL24675177 0.75 TIPARP (0.45) TIPARP
SCHEMBL24640367 0.75 TIPARP (0.47) TIPARPLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL24640010 0.73 TIPARP (0.48) TIPARPLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL24639999 0.73 TIPARP (0.48) TIPARPLMNAALDH1A1HTTSMN1; SMN2

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
WO-2022223022-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-10-27 WO disclosed