SCHEMBL31513530

SCHEMBL31513530

O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)N(c1ccncc1)C3=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
KDM4E B2RXH2 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HPGD P15428 2/20 0.63
POLB P06746 3/20 0.49
APAF1 O14727 1/20 0.49
BCHE P06276 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL12021920 0.89 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2HPGDPOLB
SCHEMBL30089821 0.89 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2HPGDPOLB
SCHEMBL15267393 0.86 KDM4E (0.67) ALDH1A1KDM4ESMN1; SMN2HPGDPOLB
SCHEMBL14242421 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2POLBAPAF1
SCHEMBL14225766 0.82 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2HPGDPOLB
SCHEMBL18470144 0.79 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2HPGDPOLB
SCHEMBL21481522 0.79 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2HPGDPOLB
SCHEMBL24221079 0.78 KDM4E (0.53) ALDH1A1KDM4ESMN1; SMN2POLBAPAF1
SCHEMBL11619942 0.77 KDM4E (0.70) ALDH1A1KDM4ESMN1; SMN2HPGDBCHE
SCHEMBL16521602 0.76 CA9 (0.50) ALDH1A1KDM4EHPGDPOLBAPAF1

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-2025047665-A1 PHOTOELECTRIC CONVERSION ELEMENT, HOLE TRANSPORT PROMOTING MATERIAL, AND COMPOUND 東ソー株式会社 2025-03-06 WO disclosed