SCHEMBL28058790

SCHEMBL28058790

COc1ccc(C(=O)Cn2ncc(Br)c2C(=O)O)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA6 P23280 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ TPMT P51580 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ HSD11B1 P28845 5/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ CYP2C19 P33261 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ PDE4D Q08499 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 3/20 0.44
▸ CTNNB1 P35222 1/20 0.44

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
SCHEMBL16426964 0.87 PDE4B (0.48) PDE4BHSD11B1SMN1; SMN2CYP2C19MAPT
SCHEMBL16437443 0.83 PDE4B (0.48) PDE4BHSD11B1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL16426583 0.78 PDE4B (0.50) PDE4BHSD11B1CYP2C19MAPTALDH1A1
SCHEMBL16427380 0.78 PDE4D (0.52) PDE4BHSD11B1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL19498643 0.77 CA12 (0.51) PDE4BCA12CA1CA2CA4
SCHEMBL16427211 0.76 PDE4D (0.50) PDE4BHSD11B1SMN1; SMN2CYP2C19PDE4D
SCHEMBL16437441 0.76 PDE4D (0.55) PDE4BHSD11B1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL16437438 0.75 PDE4B (0.52) PDE4BHSD11B1CYP3A4CYP2C19CYP2C9
SCHEMBL16437437 0.72 PDE4B (0.51) PDE4BCA12CA1CA2CA4
SCHEMBL16437442 0.68 PDE4B (0.53) PDE4BSMN1; SMN2CYP3A4CYP2C19CYP2C9

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-105555780-A Syk inhibitors GILEAD SCIENCES INC 2016-05-04 — — CN disclosed
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