SCHEMBL6974280

SCHEMBL6974280

CC(C)NC(=O)c1ccc2c(c1)/C(=C(/Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
RAB9A P51151 3/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.43
TNF P01375 1/20 0.43
POLB P06746 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL17976082 0.94 GAA (0.47) HTTRAB9AGAAHPGD
SCHEMBL17976080 0.94 GAA (0.47) HTTRAB9AGAAHPGD
SCHEMBL17976152 0.94 GAA (0.47) HTTRAB9AGAAHPGD
SCHEMBL17976154 0.94 GAA (0.47) HTTRAB9AGAAHPGD
SCHEMBL14477230 0.93 HTT (0.48) HTTRAB9AGAALMNASMN1; SMN2
SCHEMBL6984507 0.92 HTT (0.50) HTTRAB9AGAALMNASMN1; SMN2
SCHEMBL17976475 0.91 MAPT (0.49) HTTRAB9AGAALMNASMN1; SMN2
SCHEMBL17976290 0.91 MAPT (0.49) HTTRAB9AGAALMNASMN1; SMN2
SCHEMBL17976478 0.91 MAPT (0.49) HTTRAB9AGAALMNASMN1; SMN2
SCHEMBL17976287 0.91 MAPT (0.49) HTTRAB9AGAALMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed