SCHEMBL27770271

SCHEMBL27770271

O=C(O)c1ccc(NCc2cc(F)ccc2O)cc1O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.60
NOX4 Q9NPH5 2/20 0.60
RGS12 O14924 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LCK P06239 1/20 0.60
MAPT P10636 1/20 0.60
CAMKK2 Q96RR4 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
PPARA Q07869 1/20 0.55
STING1 Q86WV6 1/20 0.55
SYK P43405 2/20 0.49
PYGL P06737 1/20 0.49
APP P05067 1/20 0.47
PFKFB3 Q16875 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KDM4C Q9H3R0 2/20 0.46
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL27770274 0.90 EGFR (0.74) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL7809216 0.86 EGFR (0.81) EGFRNOX4RGS12ALDH1A1LCK
Lysine SCHEMBL27787583 0.85 EGFR (0.46) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL27770270 0.83 EGFR (0.60) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL27749184 0.83 EGFR (0.60) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL3300413 0.83 PPARA (0.73) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL19664973 0.82 PYGL (0.51) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL7809127 0.81 NOX4 (0.78) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL27858209 0.80 EGFR (0.54) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL27770338 0.79 APP (0.58) EGFRNOX4RGS12ALDH1A1LCK

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
CN-101792399-A Aminosalicylic acid derivative lysine complex salt, preparation method and application thereof UNIV NANJING MEDICAL 2010-08-04 CN disclosed
CN-101492384-A Uses of aminosalicylic acid derivative as neuroprotective agent UNIV NANJING MEDICAL (CN) 2009-07-29 CN disclosed