SCHEMBL22969721

SCHEMBL22969721

CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)-c5ccccc5C6(C)C)cc4)cc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.38
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35

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
SCHEMBL17690108 1.00 PDK2 (0.38) PDK2L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL14681288 1.00 PDK2 (0.38) PDK2L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL14681297 1.00 PDK2 (0.38) PDK2L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL15892497 0.98 ALDH1A1 (0.38) PDK2L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL22956795 0.98 PDK2 (0.37) PDK2L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL25765906 0.98 ALDH1A1 (0.38) PDK2L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL17690161 0.98 ALDH1A1 (0.38) PDK2L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL15870917 0.97 PDK2 (0.36) PDK2L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL20806442 0.97 PDK2 (0.36) PDK2L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL14681289 0.97 ALDH1A1 (0.39) PDK2L3MBTL1TDP1ALDH1A1MAPT

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-11778894-B2 Boron-containing organic light-emitting diode device and preparation method thereof JIANGSU SUNERA TECHNOLOGY CO., LTD. (CN) 2023-10-03 US disclosed
US-11778894-B2 Boron-containing organic light-emitting diode device and preparation method thereof JIANGSU SUNERA TECHNOLOGY CO., LTD. (CN) 2023-10-03 US disclosed
US-20210043841-A1 BORON-CONTAINING ORGANIC LIGHT-EMITTING DIODE DEVICE AND PREPARATION METHOD THEREOF VALIANT CO., LTD. (CN) 2021-02-11 US disclosed