SCHEMBL28597443

SCHEMBL28597443

COC(=O)c1ccc(C(CBr)c2cc(C)cc(OC)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPT P10636 5/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RXRA P19793 1/20 0.38
▸ DPP4 P27487 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TSHR P16473 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
SCHEMBL17386084 0.76 CA1 (0.45) CA1CA2TDP1MAPTMMP1
SCHEMBL18828099 0.74 CA1 (0.46) CA1CA2TDP1MAPTMMP1
SCHEMBL17386226 0.71 CA1 (0.53) CA1CA2TDP1MAPTKMT2A
SCHEMBL1663286 0.71 CA1 (0.58) CA1CA2TDP1MAPTKMT2A
SCHEMBL988746 0.70 CA1 (0.53) CA1CA2TDP1KMT2AMEN1
SCHEMBL25335887 0.70 MAPT (0.50) CA1CA2TDP1MAPTKMT2A
SCHEMBL17386315 0.69 MAPT (0.57) CA1CA2TDP1MAPTKMT2A
SCHEMBL17386317 0.69 MAPT (0.57) CA1CA2TDP1MAPTKMT2A
SCHEMBL31173883 0.68 MAPT (0.49) CA1CA2TDP1MAPTKMT2A
SCHEMBL11351348 0.68 CA1 (0.50) CA1CA2TDP1TSHR

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-108017603-B Tricyclic compounds and uses thereof 株式会社蒂奥姆生物 2021-07-23 — — CN disclosed
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