SCHEMBL21449812

SCHEMBL21449812

O=C(NCCCN1C(=O)c2ccccc2C1=O)c1ccc2nc(C3C(=O)c4ccccc4C3=O)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ DNMT1 P26358 1/20 0.43
▸ DNMT3L Q9UJW3 1/20 0.43
▸ DNMT3A Q9Y6K1 1/20 0.43
▸ SLC6A4 P31645 3/20 0.41
▸ KCNA3 P22001 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ SLC6A2 P23975 2/20 0.40

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
SCHEMBL21449827 0.92 DNMT1 (0.42) RAB9AMEN1KMT2ADNMT1DNMT3L
SCHEMBL21449829 0.92 RAB9A (0.41) RAB9ADNMT1DNMT3LDNMT3ASLC6A4
SCHEMBL21449816 0.91 NAMPT (0.41) RAB9AMEN1KMT2ADNMT1DNMT3L
SCHEMBL21449819 0.82 MAPK1 (0.47) RAB9AMEN1NPC1ALDH1A1TP53
SCHEMBL21449815 0.79 ALDH1A1 (0.47) RAB9AMEN1NPC1ALDH1A1TP53
SCHEMBL21449825 0.78 ALDH1A1 (0.46) RAB9AMEN1NPC1ALDH1A1TP53
SCHEMBL21449809 0.78 MAPK1 (0.43) RAB9AMEN1NPC1ALDH1A1TP53
SCHEMBL21449843 0.77 RXFP1 (0.45) RAB9AMEN1NPC1ALDH1A1TP53
SCHEMBL21449871 0.75 ALDH1A1 (0.51) RAB9AMEN1NPC1ALDH1A1TP53
SCHEMBL21449880 0.75 RAB9A (0.61) RAB9AMEN1NPC1ALDH1A1TP53

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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