SCHEMBL20004698

SCHEMBL20004698

COc1cc2c(cc1C)Cc1c([nH]c3cccc(Br)c13)C2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA4 P22748 4/20 0.36
CA6 P23280 4/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL896950 0.91 CA1 (0.40) CA1CA2CA4CA6TUBB4A
SCHEMBL896681 0.83 CA1 (0.43) CA1CA2CA4CA6TUBB4A
SCHEMBL1703999 0.83 ALK (0.44) CA1CA2CA4CA6ALK
SCHEMBL898146 0.80 ALK (0.43) CA1CA2CA4CA6ALK
SCHEMBL16775676 0.79 ALK (0.47) CA1CA2CA4CA6TUBB4A
SCHEMBL14990506 0.75 CA1 (0.41) CA1CA2CA4CA6ALK
SCHEMBL7811608 0.75 CA1 (0.36) CA1CA2CA4CA6ALK
SCHEMBL23027947 0.74 CA1 (0.45) CA1CA2CA4CA6KDM4E
SCHEMBL897479 0.73 CLK1 (0.35) CA1CA2CA4CA6MAPT
SCHEMBL897744 0.70 ALK (0.50) CA1CA2CA4CA6ALK

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-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed