SCHEMBL9302832

SCHEMBL9302832

N=C(N)Nc1ccccc1C(=O)Nc1cc(C(=N)N)c2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.50
DEGS1 O15121 1/20 0.49
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44
MAPT P10636 1/20 0.44
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.43
EP300 Q09472 1/20 0.43
PRMT1 Q99873 1/20 0.43
PPARG P37231 1/20 0.43
TMPRSS2 O15393 1/20 0.43
NQO2 P16083 1/20 0.43
GAA P10253 1/20 0.42
PTGES O14684 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
SCHEMBL9303292 0.89 RXFP1 (0.52) RXFP1DEGS1KDM4ENPC1RAB9A
SCHEMBL9303759 0.82 PLAU (0.50) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL9302799 0.82 RXFP1 (0.50) RXFP1DEGS1KDM4ENPC1RAB9A
SCHEMBL9303230 0.81 NPC1 (0.52) RXFP1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9304147 0.81 DEGS1 (0.44) DEGS1NPC1RAB9APOLBMEN1
SCHEMBL9302840 0.81 PTGES (0.51) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL9303507 0.80 KDM4E (0.47) RXFP1DEGS1KDM4ENPC1RAB9A
SCHEMBL9302237 0.79 F10 (0.49) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL9303221 0.79 NPC1 (0.46) RXFP1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9303445 0.78 NPC1 (0.54) RXFP1KDM4ENPC1RAB9ASMN1; SMN2

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