SCHEMBL29534849

SCHEMBL29534849

O=C1C=CC=C2C(=O)c3ccccc3C=C12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 7/20 0.46
PTPN1 P18031 6/20 0.46
IDO1 P14902 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
PKM P14618 2/20 0.46
PTPN22 Q9Y2R2 2/20 0.46
BCHE P06276 2/20 0.46
POLB P06746 2/20 0.46
THRB P10828 2/20 0.46
CES1 P23141 2/20 0.46
RECQL P46063 2/20 0.46
ALOX15 P16050 1/20 0.46
ACHE P22303 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL7915389 1.00 PTPRC (0.46) PTPRCPTPN1IDO1MEN1KMT2A
SCHEMBL49498 0.89 PTPRC (0.39) PTPRCPTPN1IDO1MEN1KMT2A
Anthraquinone SCHEMBL14742930 0.88 CDC25B (0.41) PTPRCPTPN1IDO1MEN1KMT2A
Bromide SCHEMBL28112337 0.87 PTPN1 (0.38) PTPRCPTPN1IDO1MEN1KMT2A
SCHEMBL28084319 0.87 PTPN1 (0.38) PTPRCPTPN1IDO1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL27759355 0.87 PTPN1 (0.38) PTPRCPTPN1IDO1MEN1KMT2A
SCHEMBL678826 0.87 PTPN1 (0.38) PTPRCPTPN1IDO1MEN1KMT2A
Benzene SCHEMBL5334270 0.87 PTPN1 (0.38) PTPRCPTPN1IDO1MEN1KMT2A
Methane SCHEMBL29033872 0.87 PTPN1 (0.38) PTPRCPTPN1IDO1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL27769335 0.87 PTPN1 (0.38) PTPRCPTPN1IDO1MEN1KMT2A

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
EP-4238150-A1 ORGANIC BATTERY Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2023-09-06 EP disclosed
WO-2022090453-A1 ORGANIC BATTERY SOLVAY SA (BE) 2022-05-05 WO disclosed