SCHEMBL16111536

SCHEMBL16111536

CCCCCCCCc1cc(-c2ccc(-c3ccc(C=C(C#N)P(=O)(OCC)OCC)cc3)c3nsnc23)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 1/20 0.44
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ATM Q13315 1/20 0.32
▸ NR1I2 O75469 1/20 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
SCHEMBL14948615 1.00 NEK2 (0.44) NEK2KMT2ALMNAKDM4EMEN1
SCHEMBL16111776 0.92 NEK2 (0.32) NEK2MAPT
SCHEMBL14948631 0.92 NEK2 (0.32) NEK2MAPT
SCHEMBL21300972 0.88 NEK2 (0.46) NEK2KMT2ALMNAKDM4EMEN1
SCHEMBL14948620 0.86 MAPT (0.42) KMT2ALMNAMEN1MAPTL3MBTL1
SCHEMBL16111545 0.86 MAPT (0.42) KMT2ALMNAMEN1MAPTL3MBTL1
SCHEMBL14948638 0.84 APP (0.33) —
SCHEMBL14948616 0.81 MAPT (0.42) KMT2AMEN1MAPT
SCHEMBL14948642 0.80 APP (0.32) —
SCHEMBL14948588 0.80 MAPT (0.41) KMT2ALMNAMEN1MAPTL3MBTL1

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
EP-2776515-B1 ORGANIC COLOURANT AND USES THEREOF IN PHOTOVOLTAIC CELLS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2019-08-28 — — EP disclosed
US-9171676-B2 Organic colourant and uses thereof in photovoltaic cells COMMISSARIAT {dot over (A)} L'ĖNERGIE ATOMIQUE ET AUX ÉNERGIES ALTERNATIVES (FR) 2015-10-27 — — US disclosed
US-20140290748-A1 ORGANIC COLOURANT AND USES THEREOF IN PHOTOVOLTAIC CELLS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-10-02 — — US disclosed
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