SCHEMBL7020136

SCHEMBL7020136

CN(C)CCCN(c1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 2/20 0.34
SERPINE1 P05121 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TLK2 Q86UE8 1/20 0.33
SRC P12931 1/20 0.33
KLK7 P49862 1/20 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
SCHEMBL7020142 1.00 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMEN1TSHRSERPINE1
SCHEMBL436206 0.94 KMT2A (0.35) SMN1; SMN2KMT2AMEN1TSHRSERPINE1
SCHEMBL436205 0.94 KMT2A (0.35) SMN1; SMN2KMT2AMEN1TSHRSERPINE1
SCHEMBL6318732 0.92 IDO1 (0.35) SMN1; SMN2KMT2AMEN1CA12CA1
SCHEMBL6318728 0.92 IDO1 (0.35) SMN1; SMN2KMT2AMEN1CA12CA1
SCHEMBL6325477 0.91 CA12 (0.36) KMT2AMEN1TSHRSERPINE1CA12
SCHEMBL6325475 0.91 CA12 (0.36) KMT2AMEN1TSHRSERPINE1CA12
SCHEMBL6320297 0.90 KMT2A (0.35) SMN1; SMN2KMT2AMEN1TSHRSERPINE1
SCHEMBL6320287 0.90 KMT2A (0.35) SMN1; SMN2KMT2AMEN1TSHRSERPINE1
SCHEMBL4500161 0.90 BACE1 (0.39) SMN1; SMN2KMT2AMEN1TSHRNPSR1

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
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed