SCHEMBL10540904

SCHEMBL10540904

[C-]#[N+]/C(=C\C=C1\N(CC)c2ccccc2C1(C)C)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.42
▸ KMT2A Q03164 9/20 0.42
▸ MAPT P10636 8/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ GPR55 Q9Y2T6 2/20 0.42
▸ LMNA P02545 4/20 0.40
▸ THRB P10828 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ USP2 O75604 3/20 0.40
▸ CRHBP P24387 3/20 0.40
▸ CRHR2 Q13324 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 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
SCHEMBL10540908 1.00 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL10479020 0.75 KMT2A (0.42) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL10539383 0.75 MAPT (0.41) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL10479039 0.75 MEN1 (0.70) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL10479021 0.75 KMT2A (0.42) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL10479014 0.75 KMT2A (0.67) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL11853161 0.72 HTT (0.65) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL11853151 0.72 HTT (0.65) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL13604307 0.71 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL10479026 0.71 KMT2A (0.40) MEN1KMT2AMAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4855213-A SPECTRA SENSITIZERS EASTMAN KODAK COMPANY (US) 1989-08-08 — — US claimed
EP-0297873-A2 Novel polymethine dyes and imaging compositions EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-01-04 — — EP claimed
US-4855213-A SPECTRA SENSITIZERS EASTMAN KODAK COMPANY (US) 1989-08-08 — — US disclosed
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