SCHEMBL28218521

SCHEMBL28218521

Cc1ccc(C(=O)Nc2cc(O)cc(Cc3ccccc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FABP1 P07148 1/20 0.52
P2RY14 Q15391 1/20 0.52
NQO2 P16083 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
NR1H4 Q96RI1 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SENP5 Q96HI0 1/20 0.46
SENP2 Q9HC62 1/20 0.46
SENP1 Q9P0U3 1/20 0.46

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
SCHEMBL28218533 0.90 NQO2 (0.54) RAB9ANPC1SMN1; SMN2NQO2HTT
SCHEMBL28860007 0.83 KMT2A (0.57) RAB9ANPC1MAPTSMN1; SMN2NQO2
SCHEMBL26463770 0.82 THRB (0.52) RAB9ANPC1MAPTSMN1; SMN2NQO2
SCHEMBL28218567 0.77 MAPK1 (0.53) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL28218535 0.76 SMO (0.52) RAB9ANPC1MAPTSMN1; SMN2TDP1
SCHEMBL28421085 0.76 EPHX2 (0.60) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL28431096 0.76 LMNA (0.63) RAB9ANPC1HTTGAATDP1
SCHEMBL28423671 0.75 KMT2A (0.57) RAB9ANPC1MAPTSMN1; SMN2TDP1
SCHEMBL1486873 0.75 NQO2 (0.75) RAB9ANPC1MAPTSMN1; SMN2NQO2
SCHEMBL178425 0.75 RAB9A (0.85) RAB9ANPC1MAPTSMN1; SMN2FABP1

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-107973727-B M-disubstituted phenol compound, preparation method and anti-tubercle bacillus application thereof 中山大学 2020-04-17 CN claimed
CN-107973727-A Between disubstituted benzenes phenolic compounds and preparation method thereof and anti-tubercle bacillus application 中山大学 2018-05-01 CN claimed
CN-107973727-B M-disubstituted phenol compound, preparation method and anti-tubercle bacillus application thereof 中山大学 2020-04-17 CN disclosed
CN-107973727-A Between disubstituted benzenes phenolic compounds and preparation method thereof and anti-tubercle bacillus application 中山大学 2018-05-01 CN disclosed