SCHEMBL5201654

SCHEMBL5201654

CN(C)c1ccccc1C(C#N)(c1cccc(F)c1)c1ccccc1N(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KIF11 P52732 1/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 3/20 0.33
CYP2D6 P10635 2/20 0.33
KDM4E B2RXH2 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ACHE P22303 1/20 0.31
ATM Q13315 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 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
SCHEMBL5201650 0.76 KMT2A (0.50) KCNN4KMT2ANPC1RAB9AGAA
SCHEMBL7584727 0.75 ALDH1A1 (0.36) GAAMAPTCYP2D6KDM4EDRD2
SCHEMBL1443951 0.71 KCNN4 (0.49) KCNN4NPC1KIF11MAPTACHE
SCHEMBL1492878 0.69 KCNN4 (0.43) KCNN4KIF11ACHEATM
SCHEMBL30239719 0.67 KCNN4 (0.46) KCNN4KIF11TAAR1ACHEATM
SCHEMBL28945248 0.67 KCNN4 (0.46) KCNN4KIF11TAAR1ACHEATM
SCHEMBL13466621 0.65 KCNN4 (0.40) KCNN4KIF11ACHE
SCHEMBL9475239 0.64 KCNN4 (0.43) KCNN4KMT2AGAAMAPTCYP2D6
SCHEMBL15693460 0.64 PRKCQ (0.44) KCNN4KIF11MAPTTAAR1ACHE
SCHEMBL18567400 0.64 KCNN4 (0.39) KCNN4KMT2ANPC1RAB9AKIF11

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-1277086-A4 SELECTIVELY COLORABLE POLYMERIZABLE COMPOSITIONS SPECTRA GROUP LTD INC (US) 2007-01-03 EP claimed
EP-1277086-A1 SELECTIVELY COLORABLE POLYMERIZABLE COMPOSITIONS SPECTRA GROUP LIMITED INC (US) 2003-01-22 EP claimed
WO-2001081997-A1 SELECTIVELY COLORABLE POLYMERIZABLE COMPOSITIONS SPECTRA GROUP LIMITED, INC. (US) 2001-11-01 WO claimed