SCHEMBL29957701

SCHEMBL29957701

Cc1cc([N+](=O)[O-])cc2c(C=O)c(C3CCCCC3)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
HSP90AA1 P07900 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 1/20 0.34
CXCR4 P61073 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
RB1 P06400 1/20 0.34
MGLL Q99685 1/20 0.32
GFER P55789 1/20 0.32
GPR35 Q9HC97 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL29953493 0.82 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2NPSR1MEN1
SCHEMBL29952812 0.79 MAPT (0.52) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL29950813 0.79 ALDH1A1 (0.39) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL29954098 0.78 ERN1 (0.44) ALDH1A1MAPTNPSR1TDP1
SCHEMBL29951956 0.77 TRIM24 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL29955402 0.74 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29954922 0.74 DYRK1A (0.35) ALDH1A1MAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL29952591 0.72 MAPT (0.52) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL29951429 0.72 APOL1 (0.33) LMNASMN1; SMN2RAB9ANPC1TDP1
SCHEMBL15333338 0.72 CYP19A1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2CRHBP

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