SCHEMBL29201237

SCHEMBL29201237

CCC(=NOC(=O)c1ccccc1)C(=O)c1ccc(Sc2ccc(Sc3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
PKM P14618 4/20 0.43
CDK5 Q00535 3/20 0.43
CDK5R1 Q15078 3/20 0.43
MAPT P10636 3/20 0.43
KLF5 Q13887 2/20 0.42
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MITF O75030 1/20 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
SCHEMBL14429957 1.00 ALDH1A1 (0.45) ALDH1A1HPGDKMT2AMAPK1SMN1; SMN2
SCHEMBL245812 1.00 ALDH1A1 (0.45) ALDH1A1HPGDKMT2AMAPK1SMN1; SMN2
SCHEMBL20935416 0.99 ALDH1A1 (0.46) ALDH1A1HPGDKMT2AMAPK1SMN1; SMN2
SCHEMBL28486023 0.94 ALDH1A1 (0.42) ALDH1A1HPGDKMT2AMAPK1SMN1; SMN2
SCHEMBL27996751 0.94 KMT2A (0.49) ALDH1A1KMT2AMAPK1SMN1; SMN2NPC1
SCHEMBL12328370 0.90 ALDH1A1 (0.43) ALDH1A1HPGDKMT2AMAPK1SMN1; SMN2
SCHEMBL20578374 0.90 ALDH1A1 (0.43) ALDH1A1HPGDKMT2AMAPK1SMN1; SMN2
SCHEMBL7199876 0.90 KMT2A (0.40) ALDH1A1HPGDKMT2AMAPK1SMN1; SMN2
SCHEMBL14429952 0.90 ALDH1A1 (0.45) ALDH1A1KMT2AMAPK1SMN1; SMN2NPC1
SCHEMBL28478924 0.89 NR2F2 (0.45) ALDH1A1HPGDKMT2AMAPK1SMN1; SMN2

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
CN-113376963-B Coloring composition and compound 住友化学株式会社 2024-05-28 CN disclosed
CN-113376965-B Coloring composition and compound 住友化学株式会社 2024-05-28 CN disclosed
CN-113376962-B Coloring composition and compound 住友化学株式会社 2024-05-28 CN disclosed
CN-113376964-B Coloring composition and compound 住友化学株式会社 2024-04-26 CN disclosed