SCHEMBL7972279

SCHEMBL7972279

O=C(Cc1c[nH]c2ccccc12)NCCNCCNC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
GAA P10253 1/20 0.66
LMNA P02545 2/20 0.65
ALDH1A1 P00352 2/20 0.62
AANAT Q16613 1/20 0.60
MAPT P10636 2/20 0.60
PKM P14618 1/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
SSTR3 P32745 1/20 0.58
KDM4E B2RXH2 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL7976825 0.95 SMN1; SMN2 (0.71) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL7973953 0.95 GAA (0.60) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL7973858 0.92 LMNA (0.62) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL7974076 0.90 LMNA (0.61) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL7970603 0.90 LMNA (0.61) SMN1; SMN2GAALMNAALDH1A1AANAT
Hydrochloric Acid SCHEMBL7974140 0.89 LMNA (0.60) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL10069200 0.88 AANAT (0.77) LMNAALDH1A1AANATPKMKMT2A
SCHEMBL1849735 0.88 LMNA (0.65) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL7972207 0.87 LMNA (0.67) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL10272692 0.87 MTNR1A (0.64) SMN1; SMN2GAALMNAALDH1A1AANAT

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-2001055109-A1 AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO disclosed