SCHEMBL19935722

SCHEMBL19935722

C/N=C(/C)c1ccc(C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NFE2L2 Q16236 1/20 0.39
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
HSD11B1 P28845 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
POLB P06746 1/20 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
SCHEMBL24080246 0.87 MEN1 (0.43) MAPTKMT2ASMN1; SMN2GAAHTT
SCHEMBL10147452 0.83 KMT2A (0.47) MAPTKMT2ASMN1; SMN2GAAHTT
SCHEMBL8903721 0.83 KMT2A (0.47) MAPTKMT2ASMN1; SMN2GAAHTT
SCHEMBL12780705 0.81 TRPA1 (0.48) MAPTKMT2ASMN1; SMN2GAAHTT
SCHEMBL19449734 0.79 CPS1 (0.36) MAPTKMT2ASMN1; SMN2GAAHTT
SCHEMBL6815355 0.78 MAPT (0.42) MAPTKMT2ASMN1; SMN2GAAHTT
SCHEMBL6815360 0.78 MAPT (0.42) MAPTKMT2ASMN1; SMN2GAAHTT
SCHEMBL10685097 0.77 TDP1 (0.50) MAPTKMT2ASMN1; SMN2GAAHTT
SCHEMBL19622474 0.76 PTGS1 (0.46) GAAHTTLMNATRPA1
SCHEMBL19139880 0.76 CES2 (0.42) MAPTKMT2AGAAMEN1

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
EP-3016955-B1 PI3K PROTEIN KINASE INHIBITORS, PARTICULARLY DELTA AND/OR GAMMA INHIBITORS RHIZEN PHARMACEUTICALS S A (CH) 2018-03-07 EP disclosed