SCHEMBL5201650

SCHEMBL5201650

CN(C)c1ccc(C(C#N)(c2ccc(N(C)C)cc2)c2cccc(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
APP P05067 4/20 0.39
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC2A1 P11166 1/20 0.38
MAT2A P31153 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL1443951 0.83 KCNN4 (0.49) NPC1MAPTLMNAHTTKCNN4
SCHEMBL1800563 0.81 RELA (0.48) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL7535570 0.81 SLC2A1 (0.54) KMT2ANPC1RAB9AAPPMEN1
SCHEMBL5176916 0.78 KCNH2 (0.46) KMT2ANPC1RAB9AAPPMEN1
SCHEMBL5201654 0.76 KCNN4 (0.35) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL7584721 0.73 SLC2A1 (0.42) KMT2ANPC1RAB9AAPPMEN1
SCHEMBL2394417 0.73 KCNH2 (0.41) KMT2ANPC1RAB9AAPPMEN1
SCHEMBL1492878 0.71 KCNN4 (0.43) KCNN4CYP19A1
SCHEMBL13353178 0.70 MMP8 (0.45) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL30239719 0.69 KCNN4 (0.46) TSHRKCNH2KCNN4CYP19A1

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 6 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
US-6479217-B1 PHOTOSENSITIVE RECORDING; APPLYING ACTINIC RADIATION; PHOTOPOLYMERIZATION SPECTRA GROUP LIMITED, INC. 2002-11-12 US disclosed
US-20020160310-A1 Method for producing selectively colorable printing plates SPECTRA GROUP LIMITED, INC. 2002-10-31 US disclosed
US-6309797-B1 CONTAINING OXIDIZER; EXPOSURE TO ACTINIC RADIATION SPECTRA GROUP LIMITED, INC. 2001-10-30 US disclosed