SCHEMBL29952812

SCHEMBL29952812

O=Cc1c(C2CCCCC2)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RB1 P06400 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
PARP1 P09874 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
RIPK1 Q13546 1/20 0.41
CNR1 P21554 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL29952591 0.94 MAPT (0.52) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL29957489 0.79 SIRT1 (0.46) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL29957701 0.79 ALDH1A1 (0.37) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL1429356 0.76 MTNR1A (0.55) MAPTMEN1KMT2AALDH1A1GFER
SCHEMBL29952771 0.76 KDM4E (0.42) MEN1KMT2ACNR1
SCHEMBL15332675 0.76 KIF11 (0.41) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL29951013 0.76 MTNR1A (0.55) MAPTMEN1KMT2AALDH1A1GFER
SCHEMBL15331776 0.76 KDM4E (0.42) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL10173087 0.76 CA12 (0.53) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL13191146 0.76 CA12 (0.53) MAPTMEN1KMT2ALMNAALDH1A1

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