SCHEMBL9302926

SCHEMBL9302926

N=C(N)Nc1ccccc1C(=O)Nc1ccc2ccccc2c1C(=N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.46
GFER P55789 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
PPARG P37231 2/20 0.44
GAA P10253 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL9303507 0.82 KDM4E (0.47) RAB9ANPC1KDM4ESMN1; SMN2POLB
SCHEMBL9302237 0.81 F10 (0.49) RAB9ANPC1KDM4ESMN1; SMN2POLB
SCHEMBL9303104 0.81 NPC1 (0.49) RAB9ANPC1KDM4ESMN1; SMN2POLB
SCHEMBL9303327 0.81 RAB9A (0.44) RAB9ANPC1KDM4ESMN1; SMN2POLB
SCHEMBL9302652 0.81 PLAU (0.48) RAB9ANPC1POLBKMT2AF10
SCHEMBL9303230 0.81 NPC1 (0.52) RAB9ANPC1KDM4ESMN1; SMN2POLB
SCHEMBL9303445 0.80 NPC1 (0.54) RAB9ANPC1KDM4ESMN1; SMN2POLB
SCHEMBL9303274 0.80 PLAU (0.62) RAB9ANPC1KDM4ESMN1; SMN2POLB
SCHEMBL9302810 0.78 NPC1 (0.49) RAB9ANPC1KDM4ESMN1; SMN2POLB
SCHEMBL9303221 0.78 NPC1 (0.46) RAB9ANPC1KDM4ESMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352704-A Antiviral agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-10-04 US disclosed
EP-0434432-B1 Guanidinobenzene derivatives BANYU PHARMA CO LTD (JP) 1994-05-04 EP disclosed
EP-0434432-A1 Guanidinobenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-06-26 EP disclosed