SCHEMBL1748559

SCHEMBL1748559

O=[N+]([O-])c1ccc(NCCc2cc(Cl)cc(Cl)c2)cc1N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.52
MAPT P10636 12/20 0.49
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.45
RECQL P46063 1/20 0.41
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1748190 0.89 HTR6 (0.56) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL1752646 0.88 HTR6 (0.55) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL475545 0.82 HTR6 (0.57) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL1748343 0.81 HTR6 (0.59) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
Tert-Butyl Formate SCHEMBL28805288 0.80 HTR6 (0.47) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL14941307 0.77 LMNA (0.75) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL1748558 0.76 SMN1; SMN2 (0.52) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL27933545 0.75 SMN1; SMN2 (0.51) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL5276988 0.73 SERPINE1 (0.47) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL5273517 0.73 HTR6 (0.79) HTR6MAPTALDH1A1SMN1; SMN2POLB

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
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US claimed