SCHEMBL19982148

SCHEMBL19982148

N#Cc1ccc(CCC(=O)N2CCC(CC(N)=O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 2/20 0.51
KDM1A O60341 7/20 0.48
POLB P06746 1/20 0.46
USP30 Q70CQ3 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
GRIN2B Q13224 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL19974607 0.89 YAP1 (0.54) YAP1KDM1APOLBUSP30SIGMAR1
SCHEMBL19982162 0.83 POLB (0.66) YAP1POLBGRIN2BCHRNB2CHRNB4
SCHEMBL30117603 0.81 YAP1 (0.57) YAP1MAPTMAPK1
SCHEMBL4423185 0.80 NPC1 (0.64) POLB
SCHEMBL19982103 0.80 YAP1 (0.57) YAP1KDM1A
SCHEMBL19049602 0.77 FKBP1A (0.67) MAPK1
SCHEMBL19974551 0.76 YAP1 (0.69) YAP1POLB
SCHEMBL20988916 0.75 KMT2A (0.48) YAP1KDM1APOLBKDM4EMAPT
SCHEMBL19982110 0.74 YAP1 (0.81) YAP1
SCHEMBL19982111 0.74 YAP1 (0.81) YAP1

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