SCHEMBL23716290

SCHEMBL23716290

Cc1ccc(C(NNOc2ccc(Cl)c(Cl)c2)C(N)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2A P28223 2/20 0.36
KCNH2 Q12809 2/20 0.36
S1PR3 Q99500 3/20 0.33
FFAR1 O14842 1/20 0.32
S1PR4 O95977 2/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
HSP90AA1 P07900 1/20 0.31
PNMT P11086 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL23716117 0.74 OGG1 (0.38) SLC6A4HTR2AKCNH2FFAR1PNMT
SCHEMBL23716330 0.68 MDM2 (0.38) SLC6A4SLC6A2HTR2AKCNH2S1PR3
SCHEMBL23716123 0.68 AOC3 (0.42) ALDH1A1KDM4ELMNA
SCHEMBL23716190 0.68 SLC6A3 (0.41) SLC6A3KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL23715786 0.67 ALDH1A1 (0.41) SLC6A4HTR2AKCNH2ALDH1A1SMN1; SMN2
SCHEMBL23715928 0.66 IDO1 (0.39) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL257844 0.63 HSP90AA1 (0.57) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL9152734 0.62 ALDH1A1 (0.46) SLC6A4HTR2AKCNH2ALDH1A1HSP90AA1
SCHEMBL7318571 0.59 PPARG (0.41) SLC6A3FFAR1ALDH1A1HSP90AA1PNMT
SCHEMBL11068943 0.59 PPARG (0.41) SLC6A3FFAR1ALDH1A1HSP90AA1PNMT

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-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed