SCHEMBL12954843

SCHEMBL12954843

C1=CCCC(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)=C1

nearest known ligand 0.30

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22293483 0.90 — —
SCHEMBL24114477 0.89 PDK2 (0.32) PDK2
SCHEMBL19831422 0.88 PDK2 (0.38) PDK2ALDH1A1MAPTCYP2C9TDP1
SCHEMBL20036954 0.88 PDK2 (0.30) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL13495096 0.88 PDK2 (0.30) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL21587136 0.87 — —
SCHEMBL18863523 0.86 ALDH1A1 (0.33) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21587218 0.86 — —
SCHEMBL17636184 0.85 PDK2 (0.35) PDK2
SCHEMBL21939988 0.85 KDM4E (0.34) KDM4EL3MBTL1

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-3223329-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL AND METHOD FOR PRODUCING PHOTOELECTRIC CONVERSION ELEMENT FUJIFILM Corporation (JP) 2017-09-27 — — EP disclosed
EP-2121547-B1 ORGANIC LIGHT-EMITTING DEVICE CANON KK (JP) 2011-01-12 — — EP disclosed
Send feedback