SCHEMBL6325548

SCHEMBL6325548

O=C(c1ccccc1)C(CN1CCCC1)c1ccccc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.97
MITF O75030 5/20 0.97
ALDH1A1 P00352 5/20 0.97
HTT P42858 3/20 0.97
RAB9A P51151 2/20 0.97
ATM Q13315 2/20 0.97
PAX8 Q06710 2/20 0.97
GFER P55789 1/20 0.97
NTSR1 P30989 2/20 0.77
LMNA P02545 9/20 0.75
HIF1A Q16665 1/20 0.75
MAPT P10636 5/20 0.67
NLRP1 Q9C000 1/20 0.67
TP53 P04637 4/20 0.61
MAPK1 P28482 2/20 0.61
HSP90AA1 P07900 1/20 0.61
JAK2 O60674 2/20 0.55
MEN1 O00255 1/20 0.54
THRB P10828 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL6321267 0.98 SMN1; SMN2 (0.94) SMN1; SMN2MITFALDH1A1HTTRAB9A
SCHEMBL10852952 0.89 SMN1; SMN2 (0.77) SMN1; SMN2MITFALDH1A1HTTRAB9A
SCHEMBL23094153 0.86 SMN1; SMN2 (1.00) SMN1; SMN2MITFALDH1A1HTTRAB9A
Hydrochloric Acid SCHEMBL9850640 0.86 SMN1; SMN2 (0.78) SMN1; SMN2MITFALDH1A1HTTRAB9A
SCHEMBL6320116 0.86 SMN1; SMN2 (0.81) SMN1; SMN2MITFALDH1A1HTTRAB9A
Hydrochloric Acid SCHEMBL9850694 0.85 SMN1; SMN2 (0.76) SMN1; SMN2MITFALDH1A1HTTRAB9A
SCHEMBL10851628 0.85 SMN1; SMN2 (0.97) SMN1; SMN2MITFALDH1A1HTTRAB9A
SCHEMBL7592795 0.85 MITF (0.71) SMN1; SMN2MITFALDH1A1HTTRAB9A
SCHEMBL12282101 0.85 MITF (0.71) SMN1; SMN2MITFALDH1A1HTTRAB9A
Hydrochloric Acid SCHEMBL10851947 0.84 LMNA (0.95) SMN1; SMN2MITFALDH1A1HTTRAB9A

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-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed