SCHEMBL18518237

SCHEMBL18518237

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc8ccccc8c7)cc6)n5)c4)c3cc21

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 1/20 0.32
▸ TUBB2A Q13885 1/20 0.32
▸ TUBB8 Q3ZCM7 1/20 0.32
▸ TUBA3E Q6PEY2 1/20 0.32
▸ TUBA1A Q71U36 1/20 0.32
▸ TUBA1C Q9BQE3 1/20 0.32
▸ TUBB6 Q9BUF5 1/20 0.32
▸ TUBB2B Q9BVA1 1/20 0.32
▸ TUBB1 Q9H4B7 1/20 0.32
▸ LPL P06858 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ AKT1 P31749 1/20 0.30

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
SCHEMBL18518722 0.99 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18518752 0.94 ATM (0.31) —
SCHEMBL18518870 0.94 — —
SCHEMBL23231481 0.94 TUBB4A (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18518071 0.93 KDM4E (0.32) —
SCHEMBL18518907 0.93 MEN1 (0.32) —
SCHEMBL21916760 0.93 KDM4E (0.31) —
SCHEMBL18518913 0.92 TUBB4A (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18518821 0.92 ATM (0.32) —
SCHEMBL21446685 0.91 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3335254-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-04-08 — — EP disclosed
WO-2017025164-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-02-16 — — WO disclosed
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