SCHEMBL28396773

SCHEMBL28396773

O=CNOCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 9/20 0.42
▸ ABCB1 P08183 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ DDX3X O00571 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL21749240 0.85 ABCG2 (0.43) ABCG2ABCB1SMN1; SMN2MAPTDDX3X
SCHEMBL20552459 0.85 ABCG2 (0.47) ABCG2ABCB1SMN1; SMN2MAPTDDX3X
SCHEMBL20552901 0.83 ABCG2 (0.41) ABCG2ABCB1SMN1; SMN2MAPTDDX3X
SCHEMBL25787836 0.83 ABCG2 (0.41) ABCG2ABCB1SMN1; SMN2MAPTDDX3X
SCHEMBL20551929 0.83 USP2 (0.48) ABCG2ABCB1SMN1; SMN2MAPTDDX3X
SCHEMBL20553472 0.82 ABCG2 (0.46) ABCG2ABCB1SMN1; SMN2MAPTDDX3X
SCHEMBL21749269 0.82 ABCG2 (0.46) ABCG2ABCB1SMN1; SMN2MAPTDDX3X
SCHEMBL20552265 0.81 ABCG2 (0.45) ABCG2ABCB1SMN1; SMN2MAPTDDX3X
SCHEMBL20552643 0.81 ABCG2 (0.47) ABCG2ABCB1SMN1; SMN2MAPTDDX3X
SCHEMBL20552624 0.81 ABCG2 (0.47) ABCG2ABCB1SMN1; SMN2MAPTDDX3X

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
CN-111132673-A Non-fused tricyclic compounds 维瓦斯治疗公司 2020-05-08 — — CN disclosed
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