SCHEMBL8746002

SCHEMBL8746002

CCN(CCO)c1cc(C)c(F)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
MMP14 P50281 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
S100B P04271 1/20 0.42
PSMD14 O00487 1/20 0.40
MITF O75030 1/20 0.40
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
MCL1 Q07820 1/20 0.39
S1PR1 P21453 5/20 0.39

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
SCHEMBL26418261 0.85 MAPT (0.41) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10412003 0.82 MAPT (0.54) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13412506 0.81 S1PR1 (0.56) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10486091 0.79 S100B (0.47) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12852072 0.79 KMT2A (0.42) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL29354848 0.77 S100B (0.74) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL793452 0.77 S100B (0.74) MAPTNPC1RAB9AKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9597048 0.76 S100B (0.72) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8593644 0.75 MAPT (0.44) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6226015 0.74 MAPT (0.44) MAPTNPC1RAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4202164-A None JP disclosed
EP-0488756-B1 Oxidizable color producing reagent WAKO PURE CHEM IND LTD (JP) 1997-02-26 EP disclosed
US-5238818-A Derivative of p-fluoroaniline with 4-aminoantipyrine WAKO PURE CHEMICALS CO., LTD. (JP) 1993-08-24 US disclosed
JP-H04202164-A OXIDIZABLE COLOR REAGENT WAKO PURE CHEM IND LTD 1992-07-22 JP disclosed
EP-0488756-A1 Oxidizable color producing reagent WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-06-03 EP disclosed