SCHEMBL25879647

SCHEMBL25879647

O=c1ccc2nc3c(=O)c(=O)ccc3nc2c1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
KDR P35968 1/20 0.32
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1959323 0.67 PAX8 (0.32) ALDH1A1MAPT
SCHEMBL15498095 0.67 MYC (0.34) ALDH1A1GAAMAPTRAB9AKMT2A
SCHEMBL25299764 0.65 PAX8 (0.33)
SCHEMBL21297318 0.63 MAPT (0.40) ACHEALDH1A1GAAMAPTRAB9A
SCHEMBL12523913 0.61 S100A4 (0.36) ALDH1A1GAAMAPTKMT2A
SCHEMBL14560914 0.61 MAPT (0.53) ACHEALDH1A1GAAMAPTRAB9A
SCHEMBL16815198 0.61 MAPT (0.53) ACHEALDH1A1GAAMAPTRAB9A
SCHEMBL15196665 0.61 MAPT (0.53) ACHEALDH1A1GAAMAPTRAB9A
SCHEMBL4654883 0.59 MAPT (0.69) ACHEALDH1A1GAAMAPTRAB9A
SCHEMBL15498000 0.59 CCR1 (0.47) ACHEALDH1A1GAAMAPTRAB9A

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
US-20230238534-A1 ACTIVE MATERIAL FOR SECONDARY BATTERIES, ELECTRODE FOR SECONDARY BATTERIES, SECONDARY BATTERY AND FLIGHT VEHICLE NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2023-07-27 US disclosed