SCHEMBL6984507

SCHEMBL6984507

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
RAB9A P51151 3/20 0.50
GAA P10253 2/20 0.50
KDR P35968 1/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.44
TNF P01375 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.43
SCN9A Q15858 1/20 0.43
TRPV1 Q8NER1 3/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL3151967 0.93 HTT (0.50) HTTRAB9AGAAKDRLMNA
SCHEMBL3151960 0.93 HTT (0.50) HTTRAB9AGAAKDRLMNA
SCHEMBL6974280 0.92 HTT (0.48) HTTRAB9AGAALMNAALDH1A1
SCHEMBL17976406 0.91 GAA (0.48) HTTRAB9AGAALMNAALDH1A1
SCHEMBL7980994 0.91 GAA (0.48) HTTRAB9AGAALMNAALDH1A1
SCHEMBL6984690 0.90 RAB9A (0.49) HTTRAB9AGAALMNAALDH1A1
SCHEMBL17976301 0.90 HTT (0.48) HTTRAB9AGAAKDRLMNA
SCHEMBL17976298 0.90 HTT (0.48) HTTRAB9AGAAKDRLMNA
SCHEMBL7982079 0.90 ALDH1A1 (0.51) HTTRAB9AGAALMNAALDH1A1
SCHEMBL17976154 0.89 GAA (0.47) HTTRAB9AGAAHPGD

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