SCHEMBL9056672

SCHEMBL9056672

Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2cc(C(=O)O)cc3c2OC(c2ccccc2)(c2ccccc2)O3)c([N+](=O)[O-])c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTPN1 P18031 1/20 0.32
CNR1 P21554 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9062916 0.86 KMT2A (0.43) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL9062926 0.86 KMT2A (0.43) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL9063431 0.83 MEN1 (0.40) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL9057622 0.79 CYP1A2 (0.42) MEN1KMT2ASMN1; SMN2TDP1POLB
SCHEMBL9057824 0.79 CNR1 (0.37) TSHRALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL9056318 0.77 CASP6 (0.44) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL9056709 0.76 ACLY (0.39) ALDH1A1LMNAMAPTSMN1; SMN2CNR1
SCHEMBL9062931 0.76 PTPN1 (0.39) TSHRALDH1A1KMT2ALMNAMAPT
SCHEMBL9063667 0.76 GAA (0.39) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL9062465 0.76 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDLMNA

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
WO-1996008483-A1 GALLIC ACID DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1996-03-21 WO disclosed