SCHEMBL2525520

SCHEMBL2525520

CN(c1ccccc1)c1cc(NS(=O)(=O)c2ccc(N)cc2)nc(N(C)c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.49
PDE4A P27815 1/20 0.49
AGO2 Q9UKV8 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2C9 P11712 2/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 2/20 0.47
APEX1 P27695 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 4/20 0.46
KMT2A Q03164 2/20 0.45
ADRA1A P35348 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KEAP1 Q14145 1/20 0.42
AURKA O14965 1/20 0.40

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
SCHEMBL7835334 0.80 HTR6 (0.58) HTR6PDE4AAGO2ALDH1A1MAPT
SCHEMBL2409649 0.75 TSHR (0.46) CYP3A4CYP2C19CYP2C9LMNAKMT2A
SCHEMBL7837170 0.73 HTR6 (0.75) HTR6PDE4AAGO2ALDH1A1MAPT
SCHEMBL7833846 0.72 HTR6 (0.54) HTR6PDE4AAGO2ALDH1A1MAPT
SCHEMBL7834630 0.72 HTR6 (0.76) HTR6PDE4AAGO2ALDH1A1MAPT
SCHEMBL7832410 0.70 L3MBTL1 (0.58) HTR6PDE4AAGO2ALDH1A1MAPT
SCHEMBL7836079 0.69 L3MBTL1 (0.67) HTR6PDE4AAGO2ALDH1A1MAPT
SCHEMBL1136466 0.69 CYP2C19 (0.64) HTR6PDE4AAGO2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL8054954 0.68 CYP2C19 (0.62) HTR6PDE4AAGO2ALDH1A1MAPT
SCHEMBL26806899 0.68 MAPT (0.57) ALDH1A1MAPTKDM4ENPSR1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2377531-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-10-19 EP disclosed