SCHEMBL9178752

SCHEMBL9178752

S=C(Nc1ccccc1-c1ccccc1)Nc1ccccc1-c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.71
ALDH1A1 P00352 5/20 0.55
LMNA P02545 1/20 0.55
MEN1 O00255 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49
CYP3A4 P08684 1/20 0.48
TAS2R38 P59533 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 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
SCHEMBL9311637 0.88 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1LMNAMEN1CYP2C9
SCHEMBL9311653 0.83 SIGMAR1 (0.57) SMN1; SMN2ALDH1A1LMNAMEN1CYP2C9
SCHEMBL4516142 0.83 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNAMEN1CYP2C9
SCHEMBL3609789 0.83 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNAMEN1CYP2C9
SCHEMBL27609154 0.82 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAMEN1CYP2C9
SCHEMBL3047510 0.81 EPHX1 (0.66) SMN1; SMN2ALDH1A1LMNAMEN1HPGD
SCHEMBL9313159 0.78 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNAMEN1CYP2C9
SCHEMBL18415557 0.78 ALDH1A1 (0.62) ALDH1A1LMNAMEN1CYP2C9HPGD
SCHEMBL265014 0.78 ALDH1A1 (0.62) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL34420050 0.78 CA12 (0.64) ALDH1A1MEN1CYP2C9HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0387769-B1 Toner containing a diarylguanidine type compound for developing electrostatic images CANON KK (JP) 1995-06-28 EP disclosed
US-5214208-A Toner containing a dimer of diarylguanidine type compound for developing electrostatic image CANON KABUSHIKI KAISHA (JP) 1993-05-25 US disclosed
US-5084369-A Binder resins with toners for electron photography and electrostatic recording and printing CANON KABUSHIKI KAISHA (JP) 1992-01-28 US disclosed
EP-0387769-A1 Toner containing a diarylguanidine type compound for developing electrostatic images CANON KABUSHIKI KAISHA (JP) 1990-09-19 EP disclosed