SCHEMBL8193545

SCHEMBL8193545

O=C1Nc2ccc(C(=O)N3CCOCC3)cc2/C1=C(/Nc1ccc(CN2CCCCC2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 3/20 0.46
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
PRKAA2 P54646 2/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL8193547 1.00 HPGD (0.50) HPGDSMN1; SMN2TSHRHIF1AEPAS1
SCHEMBL8192245 0.94 PRKAA2 (0.47) HPGDSMN1; SMN2TSHRRAB9ANPC1
SCHEMBL8192238 0.94 PRKAA2 (0.47) HPGDSMN1; SMN2TSHRRAB9ANPC1
SCHEMBL17976406 0.88 GAA (0.48) HPGDSMN1; SMN2HIF1AEPAS1RAB9A
SCHEMBL7980994 0.88 GAA (0.48) HPGDSMN1; SMN2HIF1AEPAS1RAB9A
SCHEMBL8176956 0.88 GAA (0.46) HPGDSMN1; SMN2TSHRRAB9AGAA
SCHEMBL8176952 0.88 GAA (0.46) HPGDSMN1; SMN2TSHRRAB9AGAA
SCHEMBL7982079 0.85 ALDH1A1 (0.51) HPGDSMN1; SMN2RAB9ANPC1GAA
SCHEMBL6984507 0.85 HTT (0.50) HPGDSMN1; SMN2HIF1AEPAS1RAB9A
SCHEMBL6321821 0.84 GAA (0.48) SMN1; SMN2RAB9AGAAKMT2AHTT

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-2000073297-A1 SUBSTITUTED INDOLINONE AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-07 WO disclosed