SCHEMBL11370552

SCHEMBL11370552

Cc1ccc(N=C2NCCN2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 6/20 0.42
MAPT P10636 6/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DYRK3 O43781 1/20 0.41
PIM1 P11309 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
DYRK1A Q13627 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
GAA P10253 4/20 0.41
NPSR1 Q6W5P4 2/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 2/20 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
SCHEMBL10689485 0.81 ALDH1A1 (0.46) ALDH1A1LMNAMAPTCYP3A4NPSR1
Tolonidine SCHEMBL5154884 0.81 RNASEL (0.38) ALDH1A1LMNAMAPTCYP3A4NPC1
Bromide SCHEMBL11366281 0.80 ALDH1A1 (0.35) ALDH1A1LMNAMAPTCYP3A4NPC1
SCHEMBL11363776 0.79 HTR3E (0.43) ALDH1A1MAPTADRA2AGAAPOLB
SCHEMBL8622564 0.77 HTR1D (0.32)
SCHEMBL11370590 0.76 MAPT (0.38) ALDH1A1MAPTNPC1RAB9ARECQL
Hydrochloric Acid SCHEMBL11356861 0.75 TSHR (0.40) ALDH1A1LMNAMAPTGAAHPGD
SCHEMBL11356616 0.75 MAOA (0.35) LMNADYRK1ATP53
SCHEMBL11355907 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11364790 0.74 NISCH (0.37) ALDH1A1LMNAL3MBTL1TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4262005-A CONTROLLING ECTOPARASITES WHICH ATTACK CATTLE AND PIGS THE BOOTS COMPANY LIMITED (GB) 1981-04-14 US disclosed