SCHEMBL10446231

SCHEMBL10446231

CCN(CC)c1ccc([N+]#N)c(C)c1.F[B-](F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.50
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
TERT O14746 1/20 0.40
ALDH1A1 P00352 7/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
MAPK1 P28482 4/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 2/20 0.38
IGLV6-57 P01721 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
HIF1A Q16665 1/20 0.38
S1PR1 P21453 2/20 0.36
GFER P55789 2/20 0.36
PSMD14 O00487 1/20 0.36

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
SCHEMBL11061844 0.95 S100B (0.55) S100BMAPTLMNAHTTTERT
Hydrochloric Acid SCHEMBL11875836 0.93 S100B (0.53) S100BMAPTLMNAHTTTERT
Hydrochloric Acid SCHEMBL9803975 0.92 S100B (0.51) S100BMAPTLMNAHTTTERT
Hydrochloric Acid SCHEMBL9859101 0.90 S100B (0.50) S100BMAPTLMNAHTTTERT
SCHEMBL10815181 0.90 S100B (0.50) S100BMAPTLMNAHTTTERT
SCHEMBL11875957 0.89 S100B (0.49) S100BMAPTLMNAHTTTERT
Trifluoromethanesulfonic Acid SCHEMBL11061600 0.81 S100B (0.42) S100BMAPTLMNAHTTTERT
SCHEMBL10837346 0.80 ALDH1A1 (0.50) S100BMAPTLMNAHTTTERT
Hydrochloric Acid SCHEMBL11875833 0.79 S100B (0.49) S100BMAPTLMNAHTTTERT
SCHEMBL11872313 0.79 MAPT (0.40) S100BMAPTLMNAHTTALDH1A1

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
EP-0383536-A2 Thermo-sensitive transfer printing medium SEIKO INSTRUMENTS INC. (JP) 1990-08-22 EP disclosed
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
US-4201588-A NONSILVER PHOTOGRAPHIC FILMS; DISULFIDE, DIAZOANTHRONE, DIAZOPHENANTHRONE, AROMATIC AZIDE, CARBAZIDES OR QUINONES AS PHOTOREDUCTANT; EXTERNAL HYDROGEN SOURCE EASTMAN KODAK COMPANY (US) 1980-05-06 US disclosed
US-4171221-A NONSILVER PHOTOGTAPHY EASTMAN KODAK COMPANY (US) 1979-10-16 US disclosed