SCHEMBL29613373

SCHEMBL29613373

O=C(NC(=O)Nc1cccc2ccccc12)Nc1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.87
MAPT P10636 2/20 0.87
POLB P06746 5/20 0.70
RAB9A P51151 6/20 0.68
KMT2A Q03164 5/20 0.67
MEN1 O00255 4/20 0.67
NPC1 O15118 4/20 0.67
TRPV1 Q8NER1 1/20 0.64
GAA P10253 2/20 0.62
ALDH1A1 P00352 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
NOX1 Q9Y5S8 1/20 0.62
CYP1A2 P05177 2/20 0.61
GSK3B P49841 1/20 0.60
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HDAC1 Q13547 1/20 0.57
CA12 O43570 1/20 0.57

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
SCHEMBL23069091 1.00 KDM4E (0.87) KDM4EMAPTPOLBRAB9AKMT2A
SCHEMBL6673848 0.93 KDM4E (1.00) KDM4EMAPTPOLBRAB9AKMT2A
SCHEMBL27613811 0.86 KDM4E (0.70) KDM4EMAPTPOLBRAB9AKMT2A
SCHEMBL30393282 0.84 KDM4E (0.82) KDM4EMAPTPOLBRAB9AKMT2A
SCHEMBL1276481 0.84 KDM4E (0.82) KDM4EMAPTPOLBRAB9AKMT2A
SCHEMBL5439226 0.83 KDM4E (0.75) KDM4EMAPTPOLBRAB9AKMT2A
SCHEMBL21751022 0.82 KDM4E (0.79) KDM4EMAPTPOLBRAB9AKMT2A
SCHEMBL27933369 0.81 KDM4E (0.77) KDM4EMAPTPOLBRAB9AKMT2A
SCHEMBL11050469 0.81 KDM4E (0.77) KDM4EMAPTPOLBRAB9AKMT2A
SCHEMBL11049554 0.81 MAPT (0.77) KDM4EMAPTPOLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11781029-B2 Heat-sensitive recording material PAPIERFABRIK AUGUST KOEHLER SE (DE) 2023-10-10 US disclosed
EP-3790739-B1 HEAT-SENSITIVE RECORDING MATERIAL KOEHLER SE AUGUST PAPIERFABRIK (DE) 2022-04-20 EP disclosed