SCHEMBL13196763

SCHEMBL13196763

CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)c4)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 14/20 0.41
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MLNR O43193 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ADRA2B P18089 1/20 0.33

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
SCHEMBL21663945 0.99 PDK2 (0.40) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL21663942 0.99 PDK2 (0.40) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL24647553 0.97 PDK2 (0.39) PDK2L3MBTL1MAPTMLNRNR1I2
SCHEMBL24882925 0.97 PDK2 (0.39) PDK2L3MBTL1MAPTMLNRNR1I2
SCHEMBL17693508 0.97 PDK2 (0.39) PDK2L3MBTL1MAPTMLNRNR1I2
SCHEMBL20707545 0.97 PDK2 (0.43) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL14340160 0.97 PDK2 (0.43) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL14340053 0.97 PDK2 (0.43) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL14340062 0.97 PDK2 (0.43) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL14340194 0.97 PDK2 (0.43) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455272-B2 Method for producing organic electroluminescence element and organic electroluminescence element UDC IRELAND LIMITED (IE) 2013-06-04 — — US disclosed
US-8455272-B2 Method for producing organic electroluminescence element and organic electroluminescence element UDC IRELAND LIMITED (IE) 2013-06-04 — — US disclosed
US-20100200883-A1 METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT FUJIFILM CORPORATION (JP) 2010-08-12 — — US disclosed
US-20100200883-A1 METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT FUJIFILM CORPORATION (JP) 2010-08-12 — — US disclosed
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