SCHEMBL9799454

SCHEMBL9799454

Cc1cc[c]c(Oc2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 3/20 0.40
GRM5 P41594 2/20 0.40
HTT P42858 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CYP2A6 P11509 1/20 0.37
TGFBR1 P36897 1/20 0.37
BRAF P15056 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
SCHEMBL8124461 0.81 LMNA (0.50) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL8124770 0.81 LMNA (0.50) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL8124416 0.81 LMNA (0.50) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL8129072 0.81 LMNA (0.46) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL21986317 0.80 LTA4H (0.41) TDP1ALDH1A1SMN1; SMN2HTTCYP2A6
SCHEMBL8130021 0.80 CYP19A1 (0.47) LMNATDP1ALDH1A1CYP19A1GRM5
SCHEMBL8126130 0.79 TDP1 (0.44) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL8121297 0.78 LMNA (0.59) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL8126838 0.77 LMNA (0.52) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL8126088 0.77 LMNA (0.45) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1

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-4990621-A Insecticides, miticides and nematocides; 3-(3-fluoro-4-phenoxyphenyl, 3-(5-fluoro-3-phenoxypyrid-2-yl) or 3-(3-methyl-4-phenyl prop-1-ene HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed