SCHEMBL4604444

SCHEMBL4604444

Cc1ccc(C(N)N)cc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.39
TRPA1 O75762 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
F2 P00734 1/20 0.38
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 4/20 0.33
CASP1 P29466 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL754092 0.84 ALDH1A1 (0.46) ALDH1A1LMNATRPA1PTGS1CACNA1C
SCHEMBL13877347 0.82 ADRB2 (0.46) ALDH1A1LMNATRPA1PTGS1CACNA1C
SCHEMBL3650358 0.82 ADRB2 (0.46) ALDH1A1LMNATRPA1PTGS1CACNA1C
SCHEMBL13128971 0.82 ADRB2 (0.46) ALDH1A1LMNATRPA1PTGS1CACNA1C
Hydrochloric Acid SCHEMBL4223637 0.80 ADRB2 (0.44) ALDH1A1LMNATRPA1PTGS1CACNA1C
Hydrochloric Acid SCHEMBL7780522 0.80 ADRB2 (0.44) ALDH1A1LMNATRPA1PTGS1CACNA1C
SCHEMBL12086953 0.78 ALDH1A1 (0.41) ALDH1A1LMNATRPA1PTGS1CACNA1C
SCHEMBL5146823 0.77 SLC6A4 (0.48) ALDH1A1LMNATRPA1PTGS1CACNA1C
SCHEMBL11663305 0.77 ALDH1A1 (0.39) ALDH1A1LMNATRPA1PTGS1CACNA1C
SCHEMBL2336888 0.76 LMNA (0.46) ALDH1A1LMNATRPA1PTGS1CACNA1C

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-1171475-B9 THERMOSETTING RESIN COMPOSITIONS COMPRISING CROSS-LINKED REACTIVE MICROPARTICLES WITH IMPROVED MECHANICAL STRENGTH CRAY VALLEY SA (FR) 2008-07-16 EP disclosed
EP-1171475-B1 THERMOSETTING RESIN COMPOSITIONS COMPRISING CROSS-LINKED REACTIVE MICROPARTICLES WITH IMPROVED MECHANICAL STRENGTH CRAY VALLEY SA (FR) 2007-09-26 EP disclosed
US-6878776-B1 Thermosetting resin compositions comprising cross-linked reactive microparticles with improved mechanical strength CRAY VALLEY, S.A. (FR) 2005-04-12 US disclosed
EP-1171475-A1 THERMOSETTING RESIN COMPOSITIONS COMPRISING CROSS-LINKED REACTIVE MICROPARTICLES WITH IMPROVED MECHANICAL STRENGTH CRAY VALLEY SA (FR) 2002-01-16 EP disclosed
WO-2000059953-A1 THERMOSETTING RESIN COMPOSITIONS COMPRISING CROSS-LINKED REACTIVE MICROPARTICLES WITH IMPROVED MECHANICAL STRENGTH CRAY VALLEY SA (FR) 2000-10-12 WO disclosed