SCHEMBL9004043

SCHEMBL9004043

CCCCC(/C=C/c1ccc(OC)cc1)=N\OC[C@H](O)CN(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
TAS1R3 Q7RTX0 4/20 0.40
TAS1R1 Q7RTX1 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK4 P11802 2/20 0.40
GSK3B P49841 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CDK2 P24941 1/20 0.37
F3 P13726 1/20 0.37
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
BCHE P06276 1/20 0.36
POLB P06746 2/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL9004140 0.77 LMNA (0.44) LMNASMN1; SMN2CDK4TRPM8NPC1
SCHEMBL9004091 0.73 LMNA (0.45) LMNASMN1; SMN2CDK4TRPM8NPC1
SCHEMBL9004155 0.71 LMNA (0.51) TAS1R3TAS1R1LMNASMN1; SMN2GSK3B
SCHEMBL9004128 0.70 KCNH2 (0.37) TDP1LMNA
SCHEMBL9004070 0.67 HSF1 (0.39) LMNASMN1; SMN2NPC1RAB9A
SCHEMBL9004068 0.66 MAPT (0.38) LMNASMN1; SMN2TRPM8NPC1RAB9A
SCHEMBL7450494 0.65 HIF1A (0.53) SMN1; SMN2CDK4THRBATMBCHE
SCHEMBL7450482 0.65 HIF1A (0.53) SMN1; SMN2CDK4THRBATMBCHE
SCHEMBL9004076 0.65 MCHR1 (0.46) LMNASMN1; SMN2GSK3BTRPM8F3
SCHEMBL9004131 0.65 LMNA (0.56) TDP1TAS1R3TAS1R1LMNASMN1; 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
US-5486528-A ANTIULCER AGENTS, ANXIOLYTIC AGENTS EGIS GYOGYSZERGYAR RT. (HU) 1996-01-23 US disclosed