SCHEMBL11298623

SCHEMBL11298623

CCN(CC)c1ccc2c(c1)Oc1cc(NCc3ccccc3)c3ccccc3c1N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.37
HPGD P15428 3/20 0.36
HTT P42858 3/20 0.36
HSD17B10 Q99714 2/20 0.36
PANK3 Q9H999 1/20 0.36
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
IDO1 P14902 1/20 0.34
IGLV6-57 P01721 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL4934602 0.89 MAPT (0.35) CDK2HTTHSD17B10KDM4EMAPT
Hydrochloric Acid SCHEMBL498441 0.88 MAPT (0.35) CDK2HTTHSD17B10KDM4EMAPT
SCHEMBL1347821 0.79 S100B (0.38) HPGDHTTHSD17B10KDM4EMAPT
SCHEMBL7209657 0.79 MAPT (0.35) CDK2HPGDHTTHSD17B10KDM4E
SCHEMBL17847418 0.78 ALDH1A1 (0.33) HPGDHTTHSD17B10KDM4EMAPT
SCHEMBL20497202 0.75 CYP1A2 (0.37) HTTHSD17B10KDM4EMAPTMAPK1
Perchlorate SCHEMBL10363409 0.74 S100B (0.34) HTTHSD17B10KDM4EMAPTMAPK1
SCHEMBL29895860 0.72 ALDH1A1 (0.44) HPGDHTTHSD17B10KDM4EMAPT
SCHEMBL80727 0.72 ALDH1A1 (0.44) HPGDHTTHSD17B10KDM4EMAPT
SCHEMBL8926029 0.69 MAOB (0.48) CDK2HPGDHSD17B10KDM4EMAPT

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-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4315068-A CONTAINING A COBALT-AMMINE COMPLEX AND A DIOXIME OR A BISIMIDAZOLIN-3-ONE CHELATING AGENT; STABILITY; COLOR DILMS RICOH CO., LTD. (JP) 1982-02-09 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed