SCHEMBL11194267

SCHEMBL11194267

CCN(CC)c1ccc(C)c(F)c1N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ S100B P04271 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CRHR1 P34998 5/20 0.35
▸ ALDH1A3 P47895 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ S1PR1 P21453 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL2374749 0.84 S100B (0.35) ALDH1A1MAPTGAAS100B
SCHEMBL8008963 0.82 MAPT (0.34) ALDH1A1MAPTGAAS100BCRHR1
SCHEMBL21575485 0.78 GAA (0.39) ALDH1A1MAPTGAACYP3A4MAPK1
SCHEMBL1395576 0.76 S100B (0.37) ALDH1A1S100BL3MBTL1PSMD14CYP3A4
SCHEMBL27829706 0.76 ALDH1A1 (0.47) ALDH1A1MAPTGAAS100BL3MBTL1
SCHEMBL5708973 0.72 CD44 (0.46) ALDH1A1MAPTGAAS100BL3MBTL1
SCHEMBL9926474 0.71 POLB (0.48) ALDH1A1MAPTGAAL3MBTL1CYP3A4
SCHEMBL3725651 0.69 POLB (0.40) ALDH1A1MAPTGAACYP3A4TSHR
SCHEMBL27555107 0.69 S100B (0.36) ALDH1A1MAPTGAAS100BL3MBTL1
SCHEMBL526857 0.68 ALDH1A1 (0.48) ALDH1A1MAPTGAAS100BL3MBTL1

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-4401717-A CONTAINING A CHROMOGEN, A PHENOL LAND A UREA OR CARBAMATE; THERMOGRAPHY FUJI PHOTO FILM CO., LTD. (JP) 1983-08-30 — — US disclosed
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