SCHEMBL20779665

SCHEMBL20779665

CNSc1ccc(NC2CCCCC2)c(/C(N)=N/NN)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.38
HDAC8 Q9BY41 1/20 0.34
ALOX15 P16050 2/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CRHBP P24387 1/20 0.31

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
SCHEMBL20779546 0.84 YAP1 (0.37) YAP1HDAC8ALOX15MAPTKDM4E
SCHEMBL20779666 0.82 YAP1 (0.36) YAP1HDAC8ALOX15MAPTKDM4E
SCHEMBL20779858 0.82 YAP1 (0.36) YAP1HDAC8ALOX15MAPTKDM4E
SCHEMBL20779491 0.82 YAP1 (0.36) YAP1HDAC8ALOX15MAPTKDM4E
SCHEMBL20779561 0.81 YAP1 (0.38) YAP1HDAC8ALOX15IDO1HSP90AA1
SCHEMBL20779550 0.80 YAP1 (0.34) YAP1HDAC8ALOX15GAAKMT2A
SCHEMBL20779677 0.80 YAP1 (0.34) YAP1HDAC8ALOX15HSP90AA1CA1
SCHEMBL20779729 0.80 ALOX15 (0.35) YAP1ALOX15CA1CA2CA3
SCHEMBL20779784 0.77 YAP1 (0.37) YAP1HDAC8ALOX15MAPTKDM4E
SCHEMBL21925800 0.76 MAPT (0.51) YAP1HDAC8ALOX15MAPTKDM4E

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-2019040380-A1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-02-28 WO disclosed