SCHEMBL7974113

SCHEMBL7974113

O=C(Cc1c[nH]c2ccccc12)NCCN(CCNC(=O)Cc1c[nH]c2ccccc12)CCNC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
AANAT Q16613 1/20 0.61
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 2/20 0.57
PKM P14618 2/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
HTT P42858 1/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
HRH3 Q9Y5N1 1/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
CYP1A2 P05177 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
BLM P54132 1/20 0.53

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 0.90 SMN1; SMN2 (0.71) LMNAAANATALDH1A1SMN1; SMN2GAA
SCHEMBL1850284 0.89 LMNA (0.60) LMNAAANATALDH1A1SMN1; SMN2GAA
SCHEMBL7970577 0.86 MEN1 (0.68) LMNAAANATALDH1A1GAAMAPT
SCHEMBL7972279 0.86 SMN1; SMN2 (0.66) LMNAAANATALDH1A1SMN1; SMN2GAA
SCHEMBL1849735 0.86 LMNA (0.65) LMNAAANATALDH1A1SMN1; SMN2GAA
SCHEMBL10069200 0.86 AANAT (0.77) LMNAAANATALDH1A1PKMKMT2A
SCHEMBL7972207 0.84 LMNA (0.67) LMNAAANATALDH1A1SMN1; SMN2GAA
SCHEMBL10272692 0.84 MTNR1A (0.64) LMNAAANATALDH1A1SMN1; SMN2GAA
SCHEMBL7973858 0.83 LMNA (0.62) LMNAAANATALDH1A1SMN1; SMN2GAA
SCHEMBL6029594 0.83 LMNA (0.62) LMNAAANATALDH1A1SMN1; SMN2GAA

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 claimed