SCHEMBL9312397

SCHEMBL9312397

FC(F)(F)c1cccc(N2CCN(c3ccc(I)nn3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
NPSR1 Q6W5P4 4/20 0.55
ALDH1A1 P00352 5/20 0.54
SIGMAR1 Q99720 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR1D P28221 1/20 0.54
HTR2C P28335 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
THRB P10828 1/20 0.52
TSHR P16473 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CNR2 P34972 1/20 0.49
DHFR P00374 1/20 0.48
POLB P06746 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL9310480 0.85 MAPT (0.58) MAPTNPSR1ALDH1A1SIGMAR1HTR3E
SCHEMBL9310502 0.84 MAPT (0.57) MAPTNPSR1ALDH1A1SIGMAR1HTR3E
SCHEMBL9310797 0.84 MAPT (0.57) MAPTNPSR1ALDH1A1SIGMAR1HTR3E
SCHEMBL28226906 0.81 ALDH1A1 (0.77) MAPTNPSR1ALDH1A1SIGMAR1HTR3E
SCHEMBL993579 0.80 NPSR1 (0.56) MAPTNPSR1ALDH1A1SIGMAR1HTR3E
SCHEMBL9312261 0.80 DRD2 (0.51) MAPTHTR2CTHRBSMN1; SMN2CNR2
SCHEMBL9311334 0.79 MEN1 (0.52) MAPTALDH1A1SIGMAR1HTR3EHTR3B
SCHEMBL9311673 0.79 ADRB1 (0.50) MAPTALDH1A1TSHRSMN1; SMN2DHFR
SCHEMBL27016806 0.76 ALDH1A1 (0.66) MAPTNPSR1ALDH1A1SIGMAR1HTR3E
SCHEMBL10429410 0.75 DRD2 (0.46) HTR2CCNR2HTR1A

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