SCHEMBL7082358

SCHEMBL7082358

COc1cccc(NC(=O)Nc2ccc(NC(=N)c3cccs3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
SMN1; SMN2 Q16637 8/20 0.67
NPC1 O15118 7/20 0.67
MEN1 O00255 7/20 0.66
KMT2A Q03164 7/20 0.66
MAPT P10636 6/20 0.66
HTT P42858 4/20 0.66
TP53 P04637 3/20 0.66
ALDH1A1 P00352 2/20 0.66
GAA P10253 2/20 0.66
USP2 O75604 1/20 0.66
ALOX15 P16050 1/20 0.66
HSD17B10 Q99714 1/20 0.66
TSHR P16473 1/20 0.64
LMNA P02545 2/20 0.57
MAPK1 P28482 1/20 0.57
STAT1 P42224 1/20 0.57
RAF1 P04049 1/20 0.57
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL7077462 0.90 RAB9A (0.66) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7080389 0.84 KMT2A (0.57) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7084928 0.83 KCNK3 (0.58) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7081200 0.82 NPC1 (0.56) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4396223 0.82 RAB9A (0.68) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9046177 0.81 MEN1 (0.59) RAB9ASMN1; SMN2NPC1MEN1KMT2A
Oxalic Acid SCHEMBL6956873 0.81 KCNK3 (0.56) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7082364 0.81 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7132994 0.81 APLNR (0.63) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL2530312 0.81 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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 5 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
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