SCHEMBL21449829

SCHEMBL21449829

O=C(NCCCN1C(=O)c2ccccc2C1=O)c1ccc2nc(C3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.41
▸ SLC6A4 P31645 4/20 0.41
▸ DNMT1 P26358 1/20 0.40
▸ DNMT3L Q9UJW3 1/20 0.40
▸ DNMT3A Q9Y6K1 1/20 0.40
▸ SLC6A2 P23975 3/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ HDAC3 O15379 4/20 0.38
▸ HDAC4 P56524 4/20 0.38
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC2 Q92769 4/20 0.38
▸ HDAC8 Q9BY41 4/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC9 Q9UKV0 4/20 0.38
▸ TOP2A P11388 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 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
SCHEMBL21449812 0.92 RAB9A (0.44) RAB9ASLC6A4DNMT1DNMT3LDNMT3A
SCHEMBL21449827 0.91 DNMT1 (0.42) RAB9ASLC6A4DNMT1DNMT3LDNMT3A
SCHEMBL21449816 0.90 NAMPT (0.41) RAB9ASLC6A4DNMT1DNMT3LDNMT3A
SCHEMBL21449823 0.84 MAPK1 (0.43) RAB9ADRD3HDAC7
SCHEMBL21449820 0.76 MAPK1 (0.43) RAB9ADRD3
SCHEMBL21449819 0.75 MAPK1 (0.47) RAB9ADRD3
SCHEMBL21449822 0.74 MAPK1 (0.43) RAB9ADRD3HDAC7
SCHEMBL21449811 0.73 MAPK1 (0.41) RAB9ADRD3
SCHEMBL21449815 0.72 ALDH1A1 (0.47) RAB9ADRD3
SCHEMBL18022785 0.67 DNMT1 (0.46) RAB9ADNMT1DNMT3LDNMT3AHDAC3

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-2019194381-A1 QUINOPHTHALONE-BASED COMPOUND, PHOTOSENSITIVE RESIN COMPOSITION COMPRISING SAME, PHOTOSENSITIVE MATERIAL, COLOR FILTER, AND DISPLAY DEVICE 주식회사 엘지화학 2019-10-10 — — WO disclosed
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