SCHEMBL7875686

SCHEMBL7875686

FC(F)(F)c1cccc(N2CCN(c3ccc(-c4ncns4)nn3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
MAPT P10636 7/20 0.48
NPSR1 Q6W5P4 3/20 0.47
ALDH1A1 P00352 4/20 0.44
SIGMAR1 Q99720 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2C P28335 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MLYCD O95822 1/20 0.43
THRB P10828 2/20 0.43
DHFR P00374 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL29627127 0.81 CNR2 (0.44) CNR2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3184352 0.81 CNR2 (0.44) CNR2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7880012 0.81 MAPT (0.52) CNR2MAPTNPSR1ALDH1A1SIGMAR1
SCHEMBL7883356 0.79 MAPT (0.47) CNR2MAPTNPSR1ALDH1A1SIGMAR1
SCHEMBL9310480 0.76 MAPT (0.58) CNR2MAPTNPSR1ALDH1A1SIGMAR1
SCHEMBL9310797 0.75 MAPT (0.57) CNR2MAPTNPSR1ALDH1A1SIGMAR1
SCHEMBL9312397 0.75 MAPT (0.57) CNR2MAPTNPSR1ALDH1A1SIGMAR1
SCHEMBL9310502 0.75 MAPT (0.57) CNR2MAPTNPSR1ALDH1A1SIGMAR1
SCHEMBL7886614 0.74 SCD (0.56) CNR2MAPTNPSR1ALDH1A1SMN1; SMN2
SCHEMBL28226906 0.72 ALDH1A1 (0.77) MAPTNPSR1ALDH1A1SIGMAR1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876366-B1 ANGIOGENESIS INHIBITING PYRIDAZINAMINES JANSSEN PHARMACEUTICA NV (BE) 2001-07-25 EP claimed
US-5985878-A Angiogenesis inhibiting pyridazinamines JANSSEN PHARMACEUTICALS, N.V. (BE) 1999-11-16 US claimed
CN-1208415-A Angiogenesis inhibiting pyridazinamines JANSSEN PHARMACEUTICA NV (BE) 1999-02-17 CN claimed
EP-0876366-A2 ANGIOGENESIS INHIBITING PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1998-11-11 EP claimed
WO-1997026258-A1 ANGIOGENESIS INHIBITING PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-24 WO claimed
CN-1104430-C Angiogenesis inhibiting pyridazinamines JANSSEN PHARMACEUTICA NV (BE) 2003-04-02 CN disclosed
EP-0876366-B1 ANGIOGENESIS INHIBITING PYRIDAZINAMINES JANSSEN PHARMACEUTICA NV (BE) 2001-07-25 EP disclosed
US-5985878-A Angiogenesis inhibiting pyridazinamines JANSSEN PHARMACEUTICALS, N.V. (BE) 1999-11-16 US disclosed
CN-1208415-A Angiogenesis inhibiting pyridazinamines JANSSEN PHARMACEUTICA NV (BE) 1999-02-17 CN disclosed
EP-0876366-A2 ANGIOGENESIS INHIBITING PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1998-11-11 EP disclosed
WO-1997026258-A1 ANGIOGENESIS INHIBITING PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-24 WO disclosed