SCHEMBL11295615

SCHEMBL11295615

Cc1ccccc1N=NNc1cc(N=Nc2ccccc2)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
MAPK1 P28482 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 8/20 0.39
NPC1 O15118 4/20 0.39
HTT P42858 2/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
AHR P35869 1/20 0.38
SIGMAR1 Q99720 3/20 0.36
FTO Q9C0B1 1/20 0.36
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 5/20 0.35

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
SCHEMBL29074603 0.83 TRPA1 (0.45) TSHRTDP1MAPK1SMN1; SMN2TP53
SCHEMBL24133230 0.79 SIGMAR1 (0.49) TSHRTDP1MAPK1SMN1; SMN2TP53
SCHEMBL2003785 0.79 SIGMAR1 (0.49) TSHRTDP1MAPK1SMN1; SMN2TP53
SCHEMBL24594109 0.76 MAPK1 (0.67) TSHRTDP1MAPK1SMN1; SMN2TP53
SCHEMBL2997137 0.75 TRPA1 (0.60) TSHRTDP1MAPK1SMN1; SMN2TP53
SCHEMBL11695762 0.75 TRPA1 (0.60) TSHRTDP1MAPK1SMN1; SMN2TP53
SCHEMBL12364531 0.72 TDP1 (0.71) TSHRTDP1MAPK1SMN1; SMN2TP53
SCHEMBL826055 0.72 TDP1 (0.71) TSHRTDP1MAPK1SMN1; SMN2TP53
Dimethylamine SCHEMBL11508825 0.71 MAPK1 (0.59) TSHRTDP1MAPK1SMN1; SMN2TP53
SCHEMBL23350363 0.70 KMT2A (0.49) TSHRTDP1MAPK1SMN1; SMN2MAPT

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-4339240-A TIME-TEMPERATURE INDICATORS ALLIED CORPORATION (US) 1982-07-13 US disclosed