SCHEMBL9523178

SCHEMBL9523178

CN(C)c1ccccc1/C=C1\CC(=O)CCN1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.48
TYR P14679 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
NSD2 O96028 1/20 0.30
EGFR P00533 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RET P07949 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 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
SCHEMBL28278807 0.78 IKBKB (0.47) ALDH1A1MAPTEGFRMAPK1L3MBTL1
SCHEMBL28278806 0.78 IKBKB (0.47) ALDH1A1MAPTEGFRMAPK1L3MBTL1
SCHEMBL28377057 0.78 HSD11B1 (0.50) ALDH1A1EGFRSMN1; SMN2
SCHEMBL28765345 0.78 DYRK2 (0.47) TDP1ALDH1A1MAPTEGFR
SCHEMBL28377055 0.78 HSD11B1 (0.50) ALDH1A1EGFRSMN1; SMN2
SCHEMBL28572914 0.77 ALDH1A1 (0.47) TDP1ALDH1A1MAPTEGFRLMNA
SCHEMBL28210997 0.74 TNF (0.51)
SCHEMBL28154528 0.74 CYP1A2 (0.49) TDP1ALDH1A1MAPTNSD2EGFR
SCHEMBL28154529 0.74 CYP1A2 (0.49) TDP1ALDH1A1MAPTNSD2EGFR
SCHEMBL28588098 0.73 CYP1A2 (0.44) ALDH1A1MAPTLMNAMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359431-B1 Halomethyl-1,3,5-triazines containing a sensitizer moiety MINNESOTA MINING & MFG (US) 1993-12-22 EP disclosed
US-5034526-A Photoinitiators for duplication, copies and images MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-07-23 US disclosed
EP-0359431-A2 Halomethyl-1,3,5-triazines containing a sensitizer moiety MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-03-21 EP disclosed