SCHEMBL6526378

SCHEMBL6526378

O=[C]c1cc(F)c(N2CCN(Cc3ccccc3-c3ccccc3Cl)CC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.50
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
PLA2G1B P04054 1/20 0.44
RAB9A P51151 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.39
CYP2A13 Q16696 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NPY2R P49146 1/20 0.39
DPP4 P27487 1/20 0.38

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
SCHEMBL1539924 0.87 HTR7 (0.52) HTR7ALDH1A1KDM4EKMT2AMAPT
SCHEMBL1540384 0.74 KDM4E (0.55) HTR7ALDH1A1KDM4EHTTKMT2A
SCHEMBL1540112 0.74 HTR7 (0.55) HTR7ALDH1A1KDM4EPLA2G1BRAB9A
SCHEMBL1540412 0.72 KMT2A (0.47) HTR7ALDH1A1KDM4EHTTKMT2A
SCHEMBL1539925 0.72 HTR7 (0.53) HTR7ALDH1A1KDM4EKMT2AMAPT
SCHEMBL1539996 0.70 HTR7 (0.53) HTR7ALDH1A1KDM4EHTTKMT2A
SCHEMBL28758994 0.69 HTR7 (0.55) HTR7ALDH1A1KDM4EHTTKMT2A
SCHEMBL7102078 0.68 LMNA (0.55) HTR7ALDH1A1KDM4EPLA2G1BRAB9A
SCHEMBL1540391 0.68 HTR7 (0.60) HTR7ALDH1A1KMT2AMAPT
SCHEMBL1540287 0.68 BCL2 (0.60) HTR7ALDH1A1KDM4EKMT2AMAPT

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-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed