SCHEMBL8726219

SCHEMBL8726219

Cc1cc(C(=O)O)cc(C)c1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
SRD5A2 P31213 2/20 0.60
KDM4E B2RXH2 1/20 0.59
TDP1 Q9NUW8 2/20 0.53
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
MYOC Q99972 1/20 0.47
CHEK2 O96017 1/20 0.46
LMNA P02545 2/20 0.46
MITF O75030 1/20 0.46
CCR6 P51684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LPAR1 Q92633 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
SCHEMBL26936532 0.83 MEN1 (0.65) MEN1KMT2ASRD5A2KDM4ETDP1
SCHEMBL4743116 0.83 MEN1 (0.55) MEN1KMT2ASRD5A2KDM4EMAPT
SCHEMBL16343154 0.83 HTT (0.55) MEN1KMT2ASRD5A2KDM4ETDP1
SCHEMBL3133551 0.82 MEN1 (0.68) MEN1KMT2ASRD5A2KDM4ETDP1
SCHEMBL3911770 0.82 MEN1 (0.68) MEN1KMT2ASRD5A2KDM4ETDP1
SCHEMBL264541 0.81 MEN1 (1.00) MEN1KMT2ASRD5A2KDM4ETDP1
SCHEMBL17185272 0.80 SRD5A2 (0.61) MEN1KMT2ASRD5A2KDM4ETDP1
SCHEMBL28561063 0.79 SRD5A2 (0.90) MEN1KMT2ASRD5A2KDM4ETDP1
SCHEMBL6623045 0.79 SRD5A2 (0.90) MEN1KMT2ASRD5A2KDM4ETDP1
SCHEMBL8722124 0.79 TSHR (0.52) MEN1KMT2AMAPTALDH1A1HTT

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-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed