SCHEMBL9254874

SCHEMBL9254874

CCOC(=O)c1cc2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 3/20 0.65
HPGD P15428 3/20 0.65
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
HSD17B10 Q99714 1/20 0.65
NPC1 O15118 2/20 0.65
LMNA P02545 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
HTT P42858 1/20 0.65
MMP13 P45452 7/20 0.56
MMP2 P08253 5/20 0.56
HRH3 Q9Y5N1 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.54
GLA P06280 1/20 0.54
MAPT P10636 1/20 0.54
ATM Q13315 1/20 0.54
MMP14 P50281 3/20 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
SCHEMBL8870168 0.83 KDM4E (0.75) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2391276 0.81 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL85706 0.80 RAB9A (1.00) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30994860 0.80 RAB9A (1.00) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30899145 0.80 KMT2A (0.59) KDM4ERAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7079692 0.79 MMP13 (0.71) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9263164 0.79 KDM4E (0.80) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL75327 0.79 KDM4E (1.00) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5680973 0.77 KDM4E (0.76) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30181833 0.76 KDM4E (0.49) KDM4EALDH1A1HPGDRAB9ASMN1; 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
US-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US disclosed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP disclosed