SCHEMBL11733016

SCHEMBL11733016

O=C(CN1CCCCCC1)Nc1ccc2cc3ccc(NC(=O)CN4CCCCCC4)cc3nc2c1

nearest known ligand 0.97

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TERT O14746 7/20 0.97
POLB P06746 1/20 0.65
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 5/20 0.60
HPGD P15428 2/20 0.60
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 2/20 0.59
GLA P06280 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
THRB P10828 1/20 0.57
JAK3 P52333 1/20 0.57

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
SCHEMBL11727594 1.00 TERT (0.97) TERTPOLBKDM4EALDH1A1HPGD
SCHEMBL11726716 0.99 TERT (1.00) TERTPOLBKDM4EALDH1A1HPGD
SCHEMBL11732314 0.86 TERT (0.78) TERTPOLBKDM4EALDH1A1HPGD
SCHEMBL3116872 0.86 TERT (1.00) TERT
Water SCHEMBL11733584 0.85 TERT (0.76) TERTPOLBKDM4EALDH1A1HPGD
Water SCHEMBL11733656 0.85 TERT (0.76) TERTKDM4EALDH1A1MEN1NPC1
Water SCHEMBL11733650 0.85 TERT (0.76) TERTKDM4EALDH1A1MEN1NPC1
Water SCHEMBL11733590 0.85 TERT (0.76) TERTPOLBKDM4EALDH1A1HPGD
SCHEMBL13989207 0.85 TERT (1.00) TERT
Water SCHEMBL11733337 0.84 TERT (0.74) TERTALDH1A1

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
US-4021551-A INDUCERS FOR INTERFERON FORMATION BOEHRINGER INGELHEIM GMBH (DT) 1977-05-03 US disclosed