SCHEMBL28460880

SCHEMBL28460880

O=C(Nc1ccc(O)cc1Cl)c1ccc(Br)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
ABL1 P00519 1/20 0.46
TSHR P16473 1/20 0.46
RIN1 Q13671 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 3/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL25350070 0.82 KMT2A (0.67) MAPTMEN1KMT2ATP53TDP1
SCHEMBL17407572 0.81 KMT2A (0.55) MAPTMEN1KMT2ACTDSP1TP53
SCHEMBL16148682 0.77 KCNMA1 (0.66) MAPTMEN1KMT2ACTDSP1TP53
SCHEMBL28454139 0.77 KCNMA1 (0.69) MAPTMEN1KMT2ATP53TDP1
SCHEMBL30451351 0.75 RAB9A (0.73) MAPTMEN1KMT2ACTDSP1TP53
SCHEMBL26697211 0.74 HTT (0.65) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL28457821 0.74 TAS1R3 (0.63) MAPTMEN1KMT2ATP53TDP1
SCHEMBL7826558 0.72 RAB9A (0.57) MAPTMEN1KMT2ACTDSP1TP53
SCHEMBL3526226 0.72 GAA (0.55) MAPTMEN1KMT2ATDP1RAB9A
SCHEMBL9973846 0.72 ALDH1A1 (0.63) MAPTMEN1KMT2ATDP1AKR1C4

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
CN-111518147-A Benzoylanilide compound and application thereof in preparing sensitizer of pseudomonas aeruginosa inhibitor 华东理工大学 2020-08-11 CN disclosed