SCHEMBL9304147

SCHEMBL9304147

N=C(N)c1cc(NC(=O)c2ccccc2N=C(N)N)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.44
NQO2 P16083 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
RAD52 P43351 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
PLAU P00749 8/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TMPRSS2 O15393 1/20 0.41
HDAC1 Q13547 1/20 0.41
F10 P00742 4/20 0.40
PLG P00747 3/20 0.40
F2 P00734 3/20 0.40
PLAT P00750 2/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL9303538 0.89 DEGS1 (0.46) DEGS1NPC1RAB9APLAUMEN1
SCHEMBL9302787 0.83 PLAU (0.45) DEGS1NPC1RAB9APLAUMEN1
SCHEMBL9303967 0.81 KCNJ11 (0.43) DEGS1NPC1RAB9APOLBMAPT
SCHEMBL9302832 0.81 RXFP1 (0.50) DEGS1NQO2NPC1RAB9APOLB
SCHEMBL9303439 0.80 NPC1 (0.45) NQO2NPC1RAB9APOLBMAPT
SCHEMBL9303218 0.79 PLAU (0.44) NQO2NPC1RAB9AMAPTPLAU
SCHEMBL9303517 0.79 PLAU (0.58) NPC1RAB9APLAUMEN1KMT2A
SCHEMBL9304170 0.78 PLAU (0.54) NPC1RAB9APLAUMEN1KMT2A
SCHEMBL9303327 0.77 RAB9A (0.44) NPC1RAB9APOLBMAPTPKM
SCHEMBL9303484 0.77 NPC1 (0.49) NPC1RAB9APOLBMAPTPLAU

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