SCHEMBL9491122

SCHEMBL9491122

O=C(OC1=NCCN1)c1cc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2D6 P10635 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
NISCH Q9Y2I1 1/20 0.50
FLT3 P36888 1/20 0.49
HTT P42858 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45

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
SCHEMBL9491204 0.78 XDH (0.43) MAPTALDH1A1HPGDHSD17B10KDM4E
SCHEMBL9208032 0.74 CYP3A4 (0.47) MAPTTDP1ALDH1A1KDM4EADRA2A
SCHEMBL8953418 0.74 KDM4E (0.50) MAPTALDH1A1HPGDHSD17B10KDM4E
SCHEMBL7347858 0.73 FLT3 (0.69) MAPTCASP3SENP7TDP1ALDH1A1
SCHEMBL9493033 0.73 BCL2L1 (0.47) CASP3SENP7TDP1ALDH1A1HPGD
SCHEMBL28107976 0.72 MAPT (0.77) MAPTCASP3SENP7TDP1ALDH1A1
SCHEMBL31619040 0.72 MAPT (0.63) MAPTCASP3SENP7TDP1ALDH1A1
SCHEMBL29023280 0.72 FLT3 (0.67) MAPTCASP3SENP7TDP1ALDH1A1
SCHEMBL10472882 0.71 KDM4E (0.47) MAPTALDH1A1KDM4EADRA2AADRA2B
SCHEMBL3529069 0.70 MAPT (0.69) MAPTCASP3SENP7TDP1ALDH1A1

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-5180419-A Herbicidal 2-(2-imidazolin-2-yl)-benzo-(5-membered)-heterocycles and the use thereof AMERICAN CYANAMID COMPANY (US) 1993-01-19 US disclosed