SCHEMBL23716015

SCHEMBL23716015

CC(C)=C/C=C(\N)Cc1ccc(Cl)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
IDO1 P14902 2/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
KDM4A O75164 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
S1PR1 P21453 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
ALOX15 P16050 1/20 0.30
CRHBP P24387 1/20 0.30
HTT P42858 1/20 0.30
CRHR2 Q13324 1/20 0.30
PNMT P11086 1/20 0.30

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
SCHEMBL23715869 0.89 SMN1; SMN2 (0.33) PTPN7DUSP3SMN1; SMN2KMT2AMCL1
SCHEMBL23715780 0.87 IDO1 (0.42) KMT2AIDO1NPFFR2CRHBPCRHR2
SCHEMBL23716362 0.78 IDO1 (0.39) SMN1; SMN2IDO1ALDH1A1L3MBTL1
SCHEMBL23715988 0.76 IDO1 (0.40) IDO1CA2L3MBTL1
SCHEMBL23715862 0.76 IDO1 (0.41) KMT2AIDO1NPFFR2CRHBPCRHR2
SCHEMBL23716370 0.75 IDO1 (0.44) KMT2AIDO1NPFFR2CRHBPCRHR2
SCHEMBL23716186 0.75 IDO1 (0.41) KMT2AIDO1NPFFR2CRHBPCRHR2
SCHEMBL31480988 0.75 CA2 (0.47) SMN1; SMN2MCL1ALDH1A1CA2
SCHEMBL5263646 0.75 CA2 (0.47) SMN1; SMN2MCL1ALDH1A1CA2
SCHEMBL23716176 0.74 IDO1 (0.40) IDO1NPFFR2CRHBPCRHR2PNMT

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