SCHEMBL8489170

SCHEMBL8489170

C#CCc1cc([N+](=O)[O-])ccc1OC(=O)Oc1ccc([N+](=O)[O-])cc1CC#C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
RECQL P46063 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL8489175 0.90 CYP1A2 (0.42) CYP1A2PTGDR2MEN1KMT2AALDH1A1
SCHEMBL8489171 0.90 CYP1A2 (0.42) CYP1A2PTGDR2MEN1KMT2AALDH1A1
SCHEMBL27958906 0.84 HSPB1 (0.43) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL5492543 0.83 ALDH1A1 (0.46) CYP1A2PTGDR2RAB9AMEN1KMT2A
SCHEMBL2995971 0.82 CYP1A2 (0.42) CYP1A2PTGDR2RAB9AMEN1KMT2A
SCHEMBL2993623 0.82 RAB9A (0.47) CYP1A2PTGDR2RAB9AMEN1KMT2A
SCHEMBL20299852 0.79 BCL9 (0.46) RAB9AMEN1KMT2AALDH1A1TDP1
SCHEMBL9226719 0.78 TSHR (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7465971 0.78 RAB9A (0.41) CYP1A2PTGDR2RAB9AMEN1KMT2A
SCHEMBL7603979 0.78 MEN1 (0.47) CYP1A2PTGDR2RAB9AMEN1KMT2A

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-1999032481-A1 MUSCARINIC AGENTS AND USE THEREOF TO TREAT GLAUCOMA, MYOPIA AND VARIOUS OTHER CONDITIONS ALCON LABORATORIES, INC. (US) 1999-07-01 WO disclosed