SCHEMBL7056347

SCHEMBL7056347

C[CH]Sc1cccc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NFE2L2 Q16236 6/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ CYP1A1 P04798 3/20 0.41
▸ CYP1B1 Q16678 3/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ PRMT1 Q99873 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7055367 0.82 CYP1A1 (0.39) NFE2L2CYP1A2CYP1A1CYP1B1CYP19A1
SCHEMBL7056770 0.82 CA1 (0.50) NFE2L2HTR1AHTR3ACYP1A2CYP1A1
SCHEMBL5026209 0.79 SMN1; SMN2 (0.48) SMN1; SMN2NFE2L2HTR1AHTR3ACYP1A2
SCHEMBL8425831 0.78 CYP1A2 (0.47) SMN1; SMN2NFE2L2HTR1AHTR3ACYP1A2
SCHEMBL5026211 0.76 SMN1; SMN2 (0.45) SMN1; SMN2NFE2L2HTR1AHTR3ACYP1A2
SCHEMBL8425830 0.76 SMN1; SMN2 (0.45) SMN1; SMN2NFE2L2HTR1AHTR3ACYP1A2
SCHEMBL9112871 0.75 CA1 (0.46) SMN1; SMN2NFE2L2CYP1A2CYP1A1CYP1B1
SCHEMBL25434306 0.73 CA1 (0.61) SMN1; SMN2NFE2L2CA12CA1CA2
SCHEMBL151213 0.73 CA1 (0.61) SMN1; SMN2NFE2L2CA12CA1CA2
SCHEMBL27753904 0.73 CA1 (0.61) SMN1; SMN2NFE2L2CA12CA1CA2

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
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 — — EP disclosed
Send feedback