SCHEMBL29953933

SCHEMBL29953933

Cc1ccc(C)c2c(C=O)c(-c3cccc([N+](=O)[O-])c3)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
THRB P10828 1/20 0.42
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
TSHR P16473 3/20 0.40
ACHE P22303 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKDC P78527 1/20 0.39

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
SCHEMBL15333187 0.85 MAPT (0.47) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL29952044 0.85 MAPT (0.49) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL2552009 0.83 MAPT (0.43) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL29953116 0.82 KDM4E (0.37) MAPTMEN1KMT2ANPC1PIK3CD
SCHEMBL29957073 0.81 SMN1; SMN2 (0.50) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL29953250 0.81 MMP2 (0.46) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL2561352 0.80 ALOX5 (0.38) PGR
SCHEMBL29951558 0.80 TNKS2 (0.43) MAPTLMNAALDH1A1
SCHEMBL15331543 0.77 MAPT (0.42) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL15332461 0.76 MAPT (0.45) MAPTLMNAMEN1KMT2AALDH1A1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed