SCHEMBL25963545

SCHEMBL25963545

O=[N+]([O-])c1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ATM Q13315 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ POLB P06746 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL25963736 0.97 ALDH1A1 (0.47) ALDH1A1TDP1ATMKDM4EL3MBTL1
SCHEMBL25962798 0.92 ALDH1A1 (0.43) ALDH1A1TDP1ATMKDM4EL3MBTL1
SCHEMBL25962990 0.92 ALDH1A1 (0.43) ALDH1A1TDP1ATMKDM4EL3MBTL1
SCHEMBL25989768 0.92 TDP1 (0.42) ALDH1A1TDP1ATMKDM4EL3MBTL1
SCHEMBL16726785 0.85 ATM (0.45) ALDH1A1TDP1ATMKDM4EL3MBTL1
SCHEMBL22173008 0.82 ALDH1A1 (0.57) ALDH1A1TDP1ATMKDM4EL3MBTL1
SCHEMBL17915598 0.81 ALDH1A1 (0.47) ALDH1A1TDP1ATMKDM4EL3MBTL1
SCHEMBL21578557 0.80 ALDH1A1 (0.51) ALDH1A1TDP1ATMKDM4EL3MBTL1
SCHEMBL19922291 0.79 PARP1 (0.45) ALDH1A1TDP1ATMKDM4EL3MBTL1
SCHEMBL25963468 0.79 CTSB (0.45) ALDH1A1TDP1ATMKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023136696-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2023-07-20 — — WO disclosed
Send feedback