SCHEMBL19982103

SCHEMBL19982103

COC(=O)CNC(=O)CC1CCN(C(=O)CCc2ccc(C#N)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 12/20 0.57
HRH3 Q9Y5N1 1/20 0.45
KDM1A O60341 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL19982105 0.86 YAP1 (0.56) YAP1ALDH1A1KMT2A
SCHEMBL19982254 0.82 YAP1 (0.57) YAP1HRH3
SCHEMBL19974607 0.81 YAP1 (0.54) YAP1KDM1A
SCHEMBL19982148 0.80 YAP1 (0.51) YAP1KDM1A
SCHEMBL19982111 0.78 YAP1 (0.81) YAP1
SCHEMBL19982110 0.78 YAP1 (0.81) YAP1
SCHEMBL23296224 0.77 YAP1 (0.75) YAP1ALDH1A1TSHRKMT2A
SCHEMBL19982259 0.77 YAP1 (0.82) YAP1
SCHEMBL19982260 0.77 YAP1 (0.82) YAP1
SCHEMBL19974553 0.77 YAP1 (0.75) YAP1ALDH1A1TSHRKMT2A

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-2018053446-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-03-22 WO disclosed