SCHEMBL11267044

SCHEMBL11267044

CCN(CC)c1ccc(C)c(C(c2c(C)n(-c3cccc(C)c3C)c3ccccc23)c2c(C)n(-c3cccc(C)c3C)c3ccccc23)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.33
KDM5A P29375 1/20 0.33
PLK1 P53350 1/20 0.32
S100B P04271 1/20 0.31
MAPT P10636 4/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
S1PR1 P21453 1/20 0.30
TP53 P04637 1/20 0.30
HTR7 P34969 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
STAT3 P40763 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5666766 0.78 CYP19A1 (0.42) ALDH1A1SMN1; SMN2KDM4ETHRBS100B
SCHEMBL5665378 0.74 KMT2A (0.43) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL5554796 0.70 MEN1 (0.40) ALDH1A1L3MBTL1PLK1S100BMAPT
SCHEMBL81552 0.69 S100B (0.53) ALDH1A1SMN1; SMN2KDM4EL3MBTL1S100B
SCHEMBL5666758 0.69 CYP19A1 (0.42) ALDH1A1SMN1; SMN2KDM4ETHRBS100B
SCHEMBL237533 0.67 S100B (0.45) ALDH1A1SMN1; SMN2KDM4EL3MBTL1S100B
Hydrochloric Acid SCHEMBL237232 0.67 S100B (0.50) ALDH1A1SMN1; SMN2KDM4EL3MBTL1THRB
SCHEMBL5670995 0.66 S100B (0.39) ALDH1A1SMN1; SMN2KDM4EL3MBTL1S100B
SCHEMBL20685525 0.66 ALKBH5 (0.48) ALDH1A1SMN1; SMN2KDM4EL3MBTL1THRB
SCHEMBL5665371 0.66 KMT2A (0.43) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1

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 2 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-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed