SCHEMBL7477210

SCHEMBL7477210

Cc1cccc(Cc2ccccc2C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 3/20 0.48
POLB P06746 3/20 0.47
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
MYC P01106 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL385272 0.83 ALDH1A1 (0.67) HPGDALDH1A1TDP1TSHRPOLB
SCHEMBL30177244 0.83 ALDH1A1 (0.67) HPGDALDH1A1TDP1TSHRPOLB
SCHEMBL27634125 0.82 ALDH1A1 (0.60) HPGDALDH1A1TDP1TSHRPOLB
SCHEMBL11054997 0.81 ALDH1A1 (0.64) HPGDALDH1A1TDP1TSHRPOLB
Hydrochloric Acid SCHEMBL1373195 0.81 ALDH1A1 (0.64) HPGDALDH1A1TDP1TSHRPOLB
SCHEMBL11055034 0.81 ALDH1A1 (0.64) HPGDALDH1A1TDP1TSHRPOLB
SCHEMBL1523175 0.80 TSHR (0.53) HPGDALDH1A1TDP1TSHRPOLB
SCHEMBL28476326 0.80 ALDH1A1 (0.62) HPGDALDH1A1TDP1TSHRPOLB
SCHEMBL28205348 0.80 TSHR (0.61) HPGDALDH1A1TSHRPOLBHTT
SCHEMBL2600784 0.79 TSHR (0.56) HPGDALDH1A1TDP1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436919-B1 LOCAL ANESTHETICS THAT HAVE LONGER DURATION OF ACTION WHILE REDUCING UNDESIRED SIDE EFFECTS THERAVANCE INC. 2002-08-20 US disclosed
EP-1216243-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS Advanced Medicine, Inc. (US) 2002-06-26 EP disclosed
WO-2001025234-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS ADVANCED MEDICINE, INC. (US) 2001-04-12 WO disclosed