SCHEMBL7082364

SCHEMBL7082364

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.61
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
MAPT P10636 5/20 0.60
HTT P42858 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
TP53 P04637 3/20 0.60
ALDH1A1 P00352 2/20 0.60
GAA P10253 2/20 0.60
USP2 O75604 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TSHR P16473 1/20 0.57
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
STAT1 P42224 1/20 0.52
RAF1 P04049 1/20 0.52
ACR P10323 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL7077469 0.91 RAB9A (0.59) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL7080394 0.86 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1KMT2AACR
SCHEMBL7081205 0.84 NOS1 (0.66) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL9046185 0.84 NOS1 (0.58) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL7133000 0.83 RAB9A (0.58) SMN1; SMN2RAB9ANPC1MAPTMEN1
Bromide SCHEMBL7132671 0.83 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AACR
Hydrochloric Acid SCHEMBL7078869 0.83 NOS3 (0.59) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL7082358 0.81 RAB9A (0.67) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL7084932 0.81 NOS1 (0.61) SMN1; SMN2MAPT
SCHEMBL9055146 0.80 ALDH1A1 (0.54) SMN1; SMN2RAB9ANPC1MAPTMEN1

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