SCHEMBL8633008

SCHEMBL8633008

O=CN(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.39
ALDH1A1 P00352 3/20 0.34
KIF11 P52732 1/20 0.33
CYP2A6 P11509 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
ALOX15 P16050 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL7670381 0.71 ALDH1A1 (0.39) ALDH1A1CYP2A6NPSR1ALOX15
SCHEMBL8587430 0.71 ALDH1A1 (0.39) ALDH1A1CYP2A6TRPM8NPSR1ALOX15
SCHEMBL8488708 0.69 ALDH1A1 (0.48) ALDH1A1NPSR1ALOX15
SCHEMBL7665930 0.68 NPSR1 (0.41) ALDH1A1TRPM8NPSR1ALOX15
SCHEMBL7659796 0.67 ALDH1A1 (0.38) KCNN4ALDH1A1
SCHEMBL11502605 0.67 ALDH1A1 (0.35) ALDH1A1CYP2A6NPSR1ALOX15
SCHEMBL2074399 0.66 KCNN4 (0.48) KCNN4ALDH1A1KIF11CYP2A6NPSR1
SCHEMBL6963070 0.65 MTNR1A (0.43) ALDH1A1NPSR1ALOX15
SCHEMBL7668451 0.65 NPSR1 (0.39) ALDH1A1TRPM8NPSR1ALOX15
SCHEMBL7662987 0.64 TDP1 (0.56) ALDH1A1ALOX15

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
EP-0852028-A1 BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING HYDROXAMIC ACID COMPOUNDS AS CONTRAST ENHANCERS Imation Corp. (US) 1998-07-08 EP disclosed
WO-1997011410-A1 BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING HYDROXAMIC ACID COMPOUNDS AS CONTRAST ENHANCERS IMATION CORP. (US) 1997-03-27 WO disclosed