SCHEMBL29720458

SCHEMBL29720458

CON1c2ccccc2C(C)(C)C12C=Cc1cc([N+](=O)[O-])ccc1O2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
GAA P10253 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
RECQL P46063 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
ALPG P10696 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GFER P55789 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.49
THRB P10828 4/20 0.49
PKM P14618 2/20 0.49
PLIN1 O60240 1/20 0.49
TSHR P16473 1/20 0.49
PLIN5 Q00G26 1/20 0.49
ABHD5 Q8WTS1 1/20 0.49

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
SCHEMBL12217368 0.89 MAPT (0.51) MAPTGAAMEN1KMT2ALMNA
SCHEMBL8680355 0.88 MEN1 (0.48) MAPTGAAMEN1KMT2ALMNA
SCHEMBL29466131 0.87 MAPT (0.70) MAPTGAAMEN1KMT2ALMNA
SCHEMBL12922324 0.87 MAPT (0.70) MAPTGAAMEN1KMT2ALMNA
SCHEMBL79311 0.87 MAPT (0.70) MAPTGAAMEN1KMT2ALMNA
SCHEMBL29492998 0.87 MAPT (0.70) MAPTGAAMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL11789208 0.86 MAPT (0.69) MAPTGAAMEN1KMT2ALMNA
SCHEMBL12193757 0.85 MAPT (0.58) MAPTGAAMEN1KMT2ALMNA
SCHEMBL8682012 0.83 MEN1 (0.56) MAPTGAAMEN1KMT2ALMNA
SCHEMBL13326514 0.83 MAPT (0.54) MAPTGAAMEN1KMT2ALMNA

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-2022161960-A1 A METHOD OF MARKING FUELS BASF SE (DE) 2022-08-04 WO disclosed