SCHEMBL20779491

SCHEMBL20779491

CNSc1ccc(NC2CCCCC2)c(/C(N)=N/N(N)C2CCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.36
ALOX15 P16050 2/20 0.32
ABCC1 P33527 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
IDO1 P14902 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA7 P43166 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL20779666 1.00 YAP1 (0.36) YAP1ALOX15ABCC1HDAC8IDO1
SCHEMBL20779858 0.98 YAP1 (0.36) YAP1ALOX15ABCC1HDAC8IDO1
SCHEMBL20779601 0.91 CHEK1 (0.33) YAP1ALOX15
SCHEMBL20779749 0.90 YAP1 (0.35) YAP1MAPT
SCHEMBL20779745 0.89 YAP1 (0.32) YAP1
SCHEMBL20779546 0.89 YAP1 (0.37) YAP1ALOX15HDAC8IDO1MAPT
SCHEMBL20779783 0.88 YAP1 (0.31) YAP1
SCHEMBL20779740 0.87 YAP1 (0.31) YAP1
SCHEMBL20779804 0.87 SMN1; SMN2 (0.34) YAP1ALOX15IDO1MAPTKDM4E
SCHEMBL20779561 0.86 YAP1 (0.38) YAP1ALOX15HDAC8IDO1CA1

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