SCHEMBL9603425

SCHEMBL9603425

C=C(N)COC(=O)c1ccc(N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
CYP1A2 P05177 3/20 0.59
CYP3A4 P08684 3/20 0.59
MAOA P21397 2/20 0.59
TSHR P16473 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PDE4D Q08499 1/20 0.53
PHLPP2 Q6ZVD8 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
CYP2D6 P10635 2/20 0.49
HTR3A P46098 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BLM P54132 1/20 0.47

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
SCHEMBL13174659 0.85 LMNA (0.66) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL8525800 0.83 KDM4E (0.64) LMNACYP1A2TSHRCYP2C9CYP2C19
SCHEMBL14193162 0.81 LMNA (0.63) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL13113118 0.79 LMNA (0.67) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL2946645 0.78 LMNA (0.70) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL291777 0.78 NPC1 (0.73) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL5807503 0.78 LMNA (0.59) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL10301412 0.78 LMNA (0.59) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL2348902 0.76 LMNA (0.62) LMNACYP1A2CYP3A4MAOATSHR
Benzocaine SCHEMBL19973350 0.76 LMNA (0.77) LMNACYP1A2CYP3A4MAOATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5331005-A None JP disclosed
JP-H05331005-A INSECT REPELLENT BAKER CUMMINS DERMATOLOGICALS INC 1993-12-14 JP disclosed