SCHEMBL31036614

SCHEMBL31036614

N#Cc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)OC4=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
APAF1 O14727 1/20 0.49
PGR P06401 6/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ELANE P08246 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.40
NR1H3 Q13133 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5573414 0.90 POLB (0.58) POLBAPAF1PGRCA12CA1
SCHEMBL31513527 0.81 NPC1 (0.44) POLBAPAF1PGRCA12CA1
SCHEMBL14242421 0.80 ALDH1A1 (0.54) POLBAPAF1CA12CA1CA2
SCHEMBL11520347 0.80 PGR (0.63) POLBPGRCA12CA1CA2
SCHEMBL31513530 0.76 ALDH1A1 (0.63) POLBAPAF1CA12CA1CA2
SCHEMBL26367717 0.76 PGR (0.43) POLBAPAF1PGRCA12CA1
SCHEMBL16521602 0.75 CA9 (0.50) POLBAPAF1CA12CA1CA2
SCHEMBL24221079 0.74 KDM4E (0.53) POLBAPAF1CA12CA1CA2
SCHEMBL22580619 0.74 ESR1 (0.49) POLBPGRCA12CA1CA9
SCHEMBL11520720 0.74 ESR1 (0.58) PGRCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025047665-A1 PHOTOELECTRIC CONVERSION ELEMENT, HOLE TRANSPORT PROMOTING MATERIAL, AND COMPOUND 東ソー株式会社 2025-03-06 WO disclosed
WO-2025004567-A1 ORGANIC ELECTRONIC ELEMENT AND COMPOUND 東ソー株式会社 2025-01-02 WO disclosed
WO-2024190394-A1 ORGANIC ELECTRONIC ELEMENT AND COMPOUND 東ソー株式会社 2024-09-19 WO disclosed