SCHEMBL9310541

SCHEMBL9310541

CCOC(=O)N1CCC(Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.59
▸ HTT P42858 3/20 0.59
▸ USP2 O75604 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ MAPT P10636 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ EPHX2 P34913 2/20 0.56
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ UBE2M P61081 1/20 0.53
▸ DCUN1D1 Q96GG9 1/20 0.53
▸ MLNR O43193 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ PHGDH O43175 3/20 0.51
▸ TEAD1 P28347 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ GAA P10253 1/20 0.50

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
Hydrochloric Acid SCHEMBL9311270 0.92 LMNA (0.66) LMNAHTTUSP2MAPK1KDM4E
SCHEMBL21856300 0.87 EPHX2 (0.53) HTTMAPK1MAPTEPHX2KMT2A
SCHEMBL30027494 0.87 EPHX2 (0.53) HTTMAPK1MAPTEPHX2KMT2A
SCHEMBL21958729 0.87 EPHX2 (0.53) HTTMAPK1MAPTEPHX2KMT2A
SCHEMBL21958743 0.87 EPHX2 (0.70) EPHX2KMT2AMEN1UBE2MDCUN1D1
SCHEMBL9309796 0.85 KDM4E (0.65) LMNAHTTUSP2KDM4EMAPT
SCHEMBL21856361 0.84 EPHX2 (0.57) LMNAHTTEPHX2KMT2AMEN1
SCHEMBL21856356 0.84 EPHX2 (0.57) LMNAHTTEPHX2KMT2AMEN1
SCHEMBL4597303 0.83 LMNA (0.54) LMNAHTTUSP2MAPK1KDM4E
SCHEMBL21958169 0.82 MLNR (0.56) EPHX2KMT2AMEN1UBE2MDCUN1D1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292738-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-08 — — US disclosed
US-5157035-A Viricides JANSSEN PHARMACEUTICA N. V. (BE) 1992-10-20 — — US disclosed
US-5001125-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-03-19 — — US disclosed
EP-0156433-B1 ANTI-VIRALLY ACTIVE PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-27 — — EP disclosed
EP-0156433-A2 Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-10-02 — — EP disclosed
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