SCHEMBL16723366

SCHEMBL16723366

c1ccc2c(c1)C1c3cccc(-n4c5ccccc5c5ccccc54)c3C2c2cccc(-n3c4ccccc4c4ccccc43)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GPR3 P46089 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ DUSP3 P51452 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ ALKBH5 Q6P6C2 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
SCHEMBL26226705 0.84 KDM4E (0.39) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL24677161 0.82 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL16723374 0.81 MAPK14 (0.42) ALDH1A1KDM4ECYP1A2MAPTHPGD
SCHEMBL16723370 0.78 MAPK14 (0.37) ALDH1A1MEN1KDM4ECYP1A2MAPT
SCHEMBL16446610 0.77 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL14557135 0.75 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4EATM
SCHEMBL546098 0.75 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL30572834 0.75 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL26518679 0.74 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4EATM
SCHEMBL26723927 0.74 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4EATM

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-9590181-B2 Triptycene derivatives having symmetric or asymmetric substituents and organic light emitting diode using the same NATIONAL TSING HUA UNIVERSITY (TW) 2017-03-07 — — US disclosed
US-9590181-B2 Triptycene derivatives having symmetric or asymmetric substituents and organic light emitting diode using the same NATIONAL TSING HUA UNIVERSITY (TW) 2017-03-07 — — US disclosed
US-20150137084-A1 TRIPTYCENE DERIVATIVES HAVING SYMMETRIC OR ASYMMETRIC SUBSTITUENTS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2015-05-21 — — US disclosed
US-20150137084-A1 TRIPTYCENE DERIVATIVES HAVING SYMMETRIC OR ASYMMETRIC SUBSTITUENTS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2015-05-21 — — US disclosed
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