SCHEMBL26723927

SCHEMBL26723927

c1ccc2c(c1)-c1ccccc1C2c1ccccc1-c1ccccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ GPR3 P46089 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTR2A P28223 1/20 0.35
▸ DUSP3 P51452 1/20 0.34
▸ KCNA3 P22001 1/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ PTGS2 P35354 1/20 0.32

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
SCHEMBL16446610 0.87 ALDH1A1 (0.37) ALDH1A1GPR3KDM4EATML3MBTL1
SCHEMBL30198171 0.86 ALDH1A1 (0.53) ALDH1A1GPR3KDM4EATML3MBTL1
SCHEMBL622966 0.86 ALDH1A1 (0.53) ALDH1A1GPR3KDM4EATML3MBTL1
SCHEMBL19075910 0.84 ALDH1A1 (0.52) ALDH1A1GPR3KDM4EATML3MBTL1
SCHEMBL64363 0.84 ALDH1A1 (0.52) ALDH1A1GPR3KDM4EATML3MBTL1
SCHEMBL12853961 0.84 ALDH1A1 (0.52) ALDH1A1GPR3KDM4EATML3MBTL1
SCHEMBL21147973 0.81 ALDH1A1 (0.36) ALDH1A1GPR3KDM4EATML3MBTL1
SCHEMBL15447069 0.81 ALDH1A1 (0.36) ALDH1A1GPR3KDM4EATML3MBTL1
SCHEMBL17030716 0.81 KDM4E (0.44) ALDH1A1KDM4EATML3MBTL1POLB
SCHEMBL17850029 0.79 ALDH1A1 (0.50) ALDH1A1GPR3KDM4EATML3MBTL1

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
US-20230363195-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-09 — — US disclosed
US-20230363195-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-09 — — US disclosed
Send feedback