SCHEMBL8195293

SCHEMBL8195293

N=C(Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)c1ccc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.54
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
STING1 Q86WV6 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
NLRP3 Q96P20 2/20 0.46
NLRP1 Q9C000 1/20 0.46
EPHX1 P07099 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
EPHX2 P34913 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46

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
Fumaric Acid SCHEMBL7081598 0.93 CNR1 (0.49) CNR1MEN1KMT2ASTING1NPC1
Bromide SCHEMBL7083406 0.79 SAE1 (0.54) CNR1MEN1KMT2ANPC1RAB9A
SCHEMBL8195295 0.77 CNR1 (0.49) CNR1MEN1KMT2ASTING1NPC1
SCHEMBL11048619 0.75 MEN1 (0.76) CNR1MEN1KMT2ANPC1RAB9A
SCHEMBL4741253 0.75 MEN1 (0.76) CNR1MEN1KMT2ANPC1RAB9A
SCHEMBL11054644 0.71 CNR1 (0.74) CNR1MEN1KMT2ANPC1RAB9A
SCHEMBL4105004 0.71 CNR1 (0.74) CNR1MEN1KMT2ANPC1RAB9A
SCHEMBL9053766 0.71 LMNA (0.66) CNR1MEN1KMT2ANPC1RAB9A
SCHEMBL6961820 0.71 KDM1A (0.39) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30469273 0.70 CNR1 (1.00) CNR1

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-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US claimed
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