SCHEMBL5461053

SCHEMBL5461053

CCCCCCCCOc1cc(C=C(C#N)c2ccc(C=Cc3ccc(OCC)cc3)cc2)ccc1C=C(C#N)c1ccc(C=Cc2ccc(OCC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 0.42
▸ NQO1 P15559 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ TUBB4A P04350 2/20 0.40
▸ TUBB P07437 2/20 0.40
▸ TUBA3C P0DPH7 2/20 0.40
▸ TUBA1B P68363 2/20 0.40
▸ TUBA4A P68366 2/20 0.40
▸ TUBB4B P68371 2/20 0.40
▸ TUBB3 Q13509 2/20 0.40
▸ TUBB2A Q13885 2/20 0.40
▸ TUBB8 Q3ZCM7 2/20 0.40
▸ TUBA3E Q6PEY2 2/20 0.40
▸ TUBA1A Q71U36 2/20 0.40
▸ TUBA1C Q9BQE3 2/20 0.40
▸ TUBB6 Q9BUF5 2/20 0.40
▸ TUBB2B Q9BVA1 2/20 0.40
▸ TUBB1 Q9H4B7 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MEN1 O00255 3/20 0.40

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
SCHEMBL5447123 0.93 TDP1 (0.45) NQO2NQO1TDP1TUBB4ATUBB
SCHEMBL5447129 0.93 TDP1 (0.45) NQO2NQO1TDP1TUBB4ATUBB
SCHEMBL10635633 0.84 TP53 (0.49) NQO2KDM4EHPGDRAB9AMAPT
SCHEMBL11656013 0.84 TP53 (0.49) NQO2KDM4EHPGDRAB9AMAPT
SCHEMBL10635627 0.84 TP53 (0.49) NQO2KDM4EHPGDRAB9AMAPT
SCHEMBL11656786 0.80 TP53 (0.52) NQO2KDM4EHPGDRAB9AMAPT
SCHEMBL11660429 0.80 TP53 (0.52) NQO2KDM4EHPGDRAB9AMAPT
SCHEMBL11659439 0.80 TP53 (0.52) NQO2KDM4EHPGDRAB9AMAPT
SCHEMBL11332814 0.79 ALDH1A1 (0.52) NQO2NQO1TUBB4ATUBBTUBA3C
SCHEMBL11332817 0.79 ALDH1A1 (0.52) NQO2NQO1TUBB4ATUBBTUBA3C

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-20070158624-A1 Time-temperature indicators NATIONAL SCIENCE FOUNDATION 2007-07-12 — — US claimed
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