SCHEMBL9115941

SCHEMBL9115941

CNC(=O)Nc1ccc(C2=NNC(=O)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.53
ALDH1A1 P00352 2/20 0.46
PDE3B Q13370 3/20 0.45
PDE3A Q14432 2/20 0.45
BCL2 P10415 1/20 0.44
BECN1 Q14457 1/20 0.44
KCNH2 Q12809 1/20 0.43
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CG P48736 1/20 0.42
POLB P06746 1/20 0.42
PIP4K2A P48426 2/20 0.42
PIP4K2B P78356 2/20 0.42
KMT2A Q03164 2/20 0.42
ROCK2 O75116 1/20 0.41
NAMPT P43490 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL9116223 0.87 PDE3B (0.59) AXLALDH1A1PDE3BPDE3AKCNH2
SCHEMBL10805900 0.82 ALDH1A1 (0.43) ALDH1A1PDE3BPDE3ABCL2BECN1
SCHEMBL10800665 0.80 ALDH1A1 (0.44) ALDH1A1PDE3BPDE3APIK3CAMTOR
SCHEMBL10804898 0.79 ALDH1A1 (0.43) ALDH1A1PDE3BPDE3ABCL2BECN1
SCHEMBL10961122 0.78 MAOB (0.66) ALDH1A1PDE3BPDE3APIK3CAMTOR
SCHEMBL3328090 0.77 ALDH1A1 (0.46) ALDH1A1BCL2BECN1PIK3CAMTOR
SCHEMBL20279531 0.74 AXL (0.67) AXLALDH1A1PDE3BPDE3AKCNH2
SCHEMBL6559298 0.73 KCNH2 (0.59) ALDH1A1PDE3BPDE3AKCNH2KMT2A
SCHEMBL21241228 0.73 KCNH2 (0.56) PDE3BPDE3AKCNH2KMT2ANPC1
SCHEMBL12402426 0.73 AXL (0.66) AXLALDH1A1KCNH2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5441859-A Hydrophilic colloid layer containing a pyrazolone dye which is photochemically inactive with excellent light-absorbing characteristics, easily decolored; antisoilants FUJI PHOTO FILM CO., LTD. (JP) 1995-08-15 US disclosed