SCHEMBL11041225

SCHEMBL11041225

CC(=O)Oc1cc(N)c(C)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
HTT P42858 1/20 0.40
CFD P00746 2/20 0.40
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ALPG P10696 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TNFSF11 O14788 1/20 0.38

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
SCHEMBL14597441 0.82 CFD (0.48) ACHEHTTCFDKDM4EGAA
SCHEMBL18420522 0.77 ACHE (0.47) ACHEHTTCFDKDM4EMAPT
SCHEMBL19683379 0.76 NCEH1 (0.51) ACHEHTTCFDKDM4EMAPT
SCHEMBL20208856 0.76 NCEH1 (0.51) ACHEHTTCFDKDM4EMAPT
SCHEMBL24176060 0.75 KDM4E (0.58) CFDKDM4EMAPTGAAALDH1A1
SCHEMBL11037996 0.75 TSHR (0.41) HTTMAPTGAAALDH1A1POLB
SCHEMBL1770841 0.74 POLB (0.56) MAPTGAAALDH1A1POLBTSHR
SCHEMBL11038716 0.74 HTT (0.38) ACHEHTTCFDKDM4EMAPT
SCHEMBL3326702 0.73 TNFSF11 (0.63) ALDH1A1HPGDTNFSF11TSHRCYP3A4
SCHEMBL16393718 0.73 CFD (0.42) ACHEHTTCFDKDM4EGAA

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
EP-0107620-A1 Phenol derivatives CIBA-GEIGY AG (CH) 1984-05-02 EP disclosed