SCHEMBL5592155

SCHEMBL5592155

O=C(O)N1CCN(Cc2ccc(C(O)c3cccc(Cl)c3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 3/20 0.50
FAAH O00519 3/20 0.50
TSHR P16473 3/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
LMNA P02545 3/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5591825 0.84 KDM4E (0.50) SMN1; SMN2KDM4ESIGMAR1ALDH1A1POLB
SCHEMBL2930424 0.82 SIGMAR1 (0.73) ATMSMN1; SMN2KDM4EFAAHTSHR
SCHEMBL5591946 0.79 CYP19A1 (0.50) ATMSMN1; SMN2KDM4EFAAHTSHR
SCHEMBL5592054 0.78 KDM4E (0.59) ATMSMN1; SMN2KDM4EFAAHTSHR
SCHEMBL2931705 0.77 AKR1C3 (0.65) KDM4EFAAHSIGMAR1LMNAALDH1A1
SCHEMBL2232306 0.74 SMN1; SMN2 (0.53) ATMSMN1; SMN2KDM4EFAAHTSHR
SCHEMBL22346647 0.74 HRH3 (0.56) SMN1; SMN2KDM4EFAAHTSHRLMNA
SCHEMBL2850013 0.73 ALDH1A1 (0.70) SMN1; SMN2KDM4EFAAHTSHRMAPT
SCHEMBL2928876 0.73 CACNA2D1 (0.55) TSHRLMNANPSR1POLBMEN1
SCHEMBL2932454 0.72 L3MBTL1 (0.54) ATMSMN1; SMN2KDM4EFAAHTSHR

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-2007104696-A1 ANTIMALARIAL AGENTS HAVING POLYAROMATIC STRUCTURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-09-20 WO disclosed