SCHEMBL2013486

SCHEMBL2013486

Cc1c(C(=O)O)ccc(-c2ccccc2[N+](=O)[O-])c1C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
EIF4E P06730 11/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
DDX3X O00571 1/20 0.44
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2885196 0.89 TSHR (0.73) TSHREIF4ETDP1ALDH1A1L3MBTL1
SCHEMBL4439669 0.80 TSHR (0.59) TSHREIF4ETDP1ALDH1A1LMNA
SCHEMBL9746118 0.79 ALDH1A1 (0.56) TSHREIF4ETDP1ALDH1A1L3MBTL1
SCHEMBL9746112 0.79 ALDH1A1 (0.56) TSHREIF4ETDP1ALDH1A1L3MBTL1
SCHEMBL29120749 0.79 MAPT (0.57) TSHREIF4ETDP1ALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL28007023 0.79 TSHR (0.67) TSHRTDP1ALDH1A1L3MBTL1LMNA
SCHEMBL28002286 0.79 TSHR (0.58) TSHREIF4ETDP1ALDH1A1L3MBTL1
SCHEMBL6304256 0.79 TSHR (0.71) TSHRTDP1ALDH1A1L3MBTL1LMNA
SCHEMBL28830921 0.79 MYC (0.55) TSHRALDH1A1L3MBTL1
SCHEMBL843489 0.78 CYP1A2 (0.48) TSHRTDP1ALDH1A1L3MBTL1HSD17B10

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
WO-2011070069-A1 PROCESS FOR PREPARATION OF MEDETOMIDINE I-TECH AB (SE) 2011-06-16 WO claimed
WO-2011070069-A1 PROCESS FOR PREPARATION OF MEDETOMIDINE I-TECH AB (SE) 2011-06-16 WO disclosed