SCHEMBL20698673

SCHEMBL20698673

CC1(C)c2cc3ccccc3cc2-c2ccc3ccc(-c4cccc(-c5ccc6cc(-c7ccc8c(-c9ccc%10c%11c(ccc%10c9)-c9ccc%10cc(-c%12cc(-n%13c%14ccccc%14c%14ccccc%14%13)cc(-n%13c%14ccccc%14c%14ccccc%14%13)c%12)ccc%10c9C%11(C)C)cccc8c7)ccc6c5)c4)cc3c21

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 2/20 0.32
▸ TUBB4A P04350 2/20 0.31
▸ TUBB P07437 2/20 0.31
▸ TUBA3C P0DPH7 2/20 0.31
▸ TUBA1B P68363 2/20 0.31
▸ TUBA4A P68366 2/20 0.31
▸ TUBB4B P68371 2/20 0.31
▸ TUBB3 Q13509 2/20 0.31
▸ TUBB2A Q13885 2/20 0.31
▸ TUBB8 Q3ZCM7 2/20 0.31
▸ TUBA3E Q6PEY2 2/20 0.31
▸ TUBA1A Q71U36 2/20 0.31
▸ TUBA1C Q9BQE3 2/20 0.31
▸ TUBB6 Q9BUF5 2/20 0.31
▸ TUBB2B Q9BVA1 2/20 0.31
▸ TUBB1 Q9H4B7 2/20 0.31

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
SCHEMBL17692366 0.90 KDM4E (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22617939 0.89 — —
SCHEMBL20698562 0.86 — —
SCHEMBL17692370 0.86 TUBB4A (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17692352 0.82 KDM4E (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20698302 0.80 TUBB4A (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17989620 0.79 KDM4E (0.33) —
SCHEMBL17989621 0.79 KDM4E (0.33) —
SCHEMBL17692350 0.78 KDM4E (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23231218 0.78 — —

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
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 — — US disclosed
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