SCHEMBL6984690

SCHEMBL6984690

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
HTT P42858 3/20 0.49
GAA P10253 1/20 0.49
CACNA1G O43497 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.42
TNF P01375 1/20 0.42
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MITF O75030 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PDPK1 O15530 1/20 0.41
AKT2 P31751 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
SCHEMBL8192980 0.95 RAB9A (0.48) RAB9AHTTGAACACNA1GSMN1; SMN2
SCHEMBL8192977 0.95 RAB9A (0.48) RAB9AHTTGAACACNA1GSMN1; SMN2
SCHEMBL8191640 0.94 RAB9A (0.47) RAB9AHTTGAACACNA1GSMN1; SMN2
SCHEMBL17976301 0.90 HTT (0.48) RAB9AHTTGAACACNA1GSMN1; SMN2
SCHEMBL17976298 0.90 HTT (0.48) RAB9AHTTGAACACNA1GSMN1; SMN2
SCHEMBL6984507 0.90 HTT (0.50) RAB9AHTTGAASMN1; SMN2LMNA
SCHEMBL8192954 0.90 RAB9A (0.44) RAB9AHTTGAACACNA1GSMN1; SMN2
SCHEMBL8192956 0.90 RAB9A (0.44) RAB9AHTTGAACACNA1GSMN1; SMN2
SCHEMBL8177450 0.89 RET (0.45) RAB9AHTTGAAHPGDALDH1A1
SCHEMBL8190763 0.89 RAB9A (0.48) RAB9AHTTGAACACNA1GSMN1; 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