SCHEMBL16702103

SCHEMBL16702103

O=CCc1cc(Cl)cc([N+](=O)[O-])c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.47
GPR35 Q9HC97 5/20 0.46
TTR P02766 2/20 0.44
POLB P06746 3/20 0.43
XDH P47989 1/20 0.42
ERN1 O75460 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SNCA P37840 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7040026 0.86 MAPT (0.46) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL11007373 0.83 GPR35 (0.52) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL11330105 0.81 GPR35 (0.50) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL17744715 0.81 GPR35 (0.50) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL3840638 0.81 TTR (0.44) MAPTMEN1KMT2ATDP1GPR35
SCHEMBL3640209 0.81 ERN1 (0.59) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL6010796 0.78 GPR35 (0.63) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL17744242 0.77 LMNA (0.47) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL535349 0.77 MAPK1 (0.50) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL405093 0.77 TSHR (0.55) MAPTLMNAMEN1KMT2APOLB

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-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed