SCHEMBL7080389

SCHEMBL7080389

Cc1cccc(NC(=O)Nc2ccc(NC(=N)c3cccs3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
PKM P14618 2/20 0.57
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
KCNK3 O14649 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
MEN1 O00255 5/20 0.50
MAPT P10636 4/20 0.50
POLB P06746 2/20 0.50
TP53 P04637 2/20 0.50
GAA P10253 2/20 0.50
ALOX15 P16050 1/20 0.50
GFER P55789 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CNR1 P21554 1/20 0.49
CSF1R P07333 1/20 0.48
FLT1 P17948 1/20 0.48

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
SCHEMBL17794159 0.91 KCNK3 (0.57) KMT2ASMN1; SMN2PKMKCNK3KCNK9
SCHEMBL7084928 0.87 KCNK3 (0.58) KMT2ASMN1; SMN2KCNK3KCNK9NPC1
SCHEMBL7081200 0.85 NPC1 (0.56) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9046177 0.85 MEN1 (0.59) KMT2ASMN1; SMN2NPC1RAB9AMEN1
Oxalic Acid SCHEMBL6956873 0.84 KCNK3 (0.56) KMT2ASMN1; SMN2KCNK3KCNK9NPC1
SCHEMBL7082358 0.84 RAB9A (0.67) KMT2ASMN1; SMN2NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL7078864 0.84 MEN1 (0.57) KMT2ASMN1; SMN2NPC1RAB9AMEN1
Bromide SCHEMBL7132666 0.84 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2KCNK3KCNK9NPC1
SCHEMBL9055144 0.82 MAPT (0.59) KMT2ASMN1; SMN2NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL7086426 0.81 MAPT (0.58) KMT2ASMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed