SCHEMBL23850682

SCHEMBL23850682

O=C(Oc1ccc2ccccc2c1)N1CCC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.79
MEN1 O00255 5/20 0.79
KMT2A Q03164 5/20 0.79
MAPT P10636 3/20 0.79
HTT P42858 2/20 0.79
NPC1 O15118 5/20 0.66
RAB9A P51151 4/20 0.66
LMNA P02545 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
ATM Q13315 1/20 0.66
TSHR P16473 2/20 0.65
POLB P06746 2/20 0.61
ALDH1A1 P00352 2/20 0.61
NPSR1 Q6W5P4 1/20 0.58
HPGD P15428 2/20 0.57
CHRNA3 P32297 1/20 0.56
NCEH1 Q6PIU2 2/20 0.55
BCHE P06276 1/20 0.52
TP53 P04637 1/20 0.51

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
SCHEMBL5399012 0.97 SMN1; SMN2 (0.84) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL830176 0.95 SMN1; SMN2 (0.88) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL31323057 0.86 SMN1; SMN2 (0.88) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL30559852 0.86 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL23850681 0.84 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL30559858 0.83 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL31323039 0.82 SMN1; SMN2 (0.66) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL3077817 0.80 SMN1; SMN2 (0.72) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL23199839 0.80 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL829826 0.80 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2AMAPTHTT

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
EP-3883925-A1 CYCLIC UREAS Sironax Ltd (KY) 2021-09-29 EP disclosed