SCHEMBL27728331

SCHEMBL27728331

CC(=O)c1ccc2cccc([N+](=O)[O-])c2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.49
ERN1 O75460 1/20 0.44
TSHR P16473 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
P2RX1 P51575 1/20 0.40
TNF P01375 2/20 0.40
NOD1 Q9Y239 2/20 0.40
TYMS P04818 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CASP6 P55212 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
Hydrochloric Acid SCHEMBL27640262 0.97 GPR35 (0.46) GPR35ERN1TSHRMEN1KMT2A
SCHEMBL12920010 0.84 TSHR (0.51) GPR35TSHRMEN1KMT2AALDH1A1
SCHEMBL312392 0.80 GPR35 (0.64) GPR35ERN1TSHRMEN1KMT2A
SCHEMBL29506396 0.80 GPR35 (0.64) GPR35ERN1TSHRMEN1KMT2A
Acetone SCHEMBL27618861 0.80 TDP1 (0.52) GPR35ERN1TSHRMEN1KMT2A
SCHEMBL12800164 0.77 MAPT (0.49) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL8974158 0.76 ALDH1A1 (0.47) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL187697 0.74 ALDH1A1 (0.61) GPR35TSHRMEN1KMT2AALDH1A1
SCHEMBL29626558 0.74 ALDH1A1 (0.61) GPR35TSHRMEN1KMT2AALDH1A1
SCHEMBL2927810 0.73 GPR35 (0.60) GPR35ERN1TSHRMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101412775-B Catalyst precursor for polymerization of propylene or combined polymerization, and preparation thereof BEIJING JINDINGKE CHEMICAL TECHNOLOGY CO LTD 2010-12-22 CN disclosed
CN-101139407-B Catalyst precursor for ethylene polymerization or copolymerization and preparation method thereof BEIJING JINDINGKE CHEMICAL TECHNOLOGY CO LTD 2010-10-06 CN disclosed
CN-101412775-A Catalyst activity component for polymerization of propylene or combined polymerization, catalyst precursor containing the same and preparation thereof BEIJING JINDINGKE CHEMICAL TEC (CN) 2009-04-22 CN disclosed
CN-101139407-A Catalyst active component for ethylene polymerization or copolymerization and catalyst precursor comprising the active component and preparation method thereof BEIJING JINDINGKE CHEMICAL TEC (CN) 2008-03-12 CN disclosed