SCHEMBL28249205

SCHEMBL28249205

Cc1c(O)ccc([N+](=O)[O-])c1-c1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 4/20 0.47
CYP3A4 P08684 3/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 4/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 4/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
CASP6 P55212 1/20 0.42
CTSB P07858 2/20 0.40
CTSH P09668 1/20 0.40
CSNK2A2 P19784 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
SCHEMBL28814085 0.87 TSHR (0.50) ALOX15MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL27978188 0.84 MAPT (0.51) HSD17B10TSHRCYP3A4TP53HPGD
SCHEMBL27930468 0.76 TSHR (0.55) ALOX15HSD17B10L3MBTL1TSHRCYP3A4
SCHEMBL1896801 0.74 TDP1 (0.56) ALOX15MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL3280548 0.72 GPR35 (0.54) ALOX15MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL5881005 0.72 TSHR (0.44) ALOX15MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL21811800 0.71 TSHR (0.53) ALOX15MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL258792 0.71 GPR35 (0.55) ALOX15MAPK1HSD17B10L3MBTL1TSHR
Hydrochloric Acid SCHEMBL28240513 0.71 GPR35 (0.52) ALOX15MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL535242 0.70 ALOX15 (0.74) ALOX15MAPK1HSD17B10L3MBTL1TSHR

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
CN-108883198-A ERIBULIN-BASED ANTIBODY-DRUG CONJUGATES AND METHODS OF USE 卫材研究发展管理有限公司 2018-11-23 CN disclosed