SCHEMBL3402877

SCHEMBL3402877

COc1cc(N(C)C)ccc1/C=C1\Nc2cc(Cl)ccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 7/20 0.48
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47
▸ TUBA1A Q71U36 1/20 0.47
▸ TUBA1C Q9BQE3 1/20 0.47
▸ TUBB6 Q9BUF5 1/20 0.47
▸ TUBB2B Q9BVA1 1/20 0.47
▸ TUBB1 Q9H4B7 1/20 0.47
▸ PSEN1 P49768 2/20 0.43
▸ PSEN2 P49810 2/20 0.43
▸ APH1B Q8WW43 2/20 0.43
▸ NCSTN Q92542 2/20 0.43

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
SCHEMBL3402879 1.00 MDM2 (0.48) MDM2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL153106 0.85 MDM2 (0.54) MDM2TYRMAPTAPPCYBB
SCHEMBL153105 0.85 MDM2 (0.54) MDM2TYRMAPTAPPCYBB
SCHEMBL3409511 0.84 MAPT (0.42) MDM2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3409509 0.84 MAPT (0.42) MDM2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14889480 0.79 CYBB (0.41) MDM2CES1MAPTCYBBNOX4
SCHEMBL3405296 0.79 CYBB (0.41) MDM2CES1MAPTCYBBNOX4
SCHEMBL154460 0.77 MDM2 (0.39) MDM2PSEN1PSEN2APH1BNCSTN
SCHEMBL154461 0.77 MDM2 (0.39) MDM2PSEN1PSEN2APH1BNCSTN
SCHEMBL154459 0.77 MDM2 (0.39) MDM2PSEN1PSEN2APH1BNCSTN

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-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 — — EP disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 — — EP disclosed
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