SCHEMBL11242353

SCHEMBL11242353

C/C(=C/C(C)(C)c1ccccc1N)c1ccccc1N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.38
▸ HSD17B10 Q99714 6/20 0.38
▸ CFTR P13569 1/20 0.38
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ KDM4E B2RXH2 7/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TSHR P16473 3/20 0.33
▸ HPGD P15428 3/20 0.32
▸ GLA P06280 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL11242362 1.00 ALDH1A1 (0.38) ALDH1A1HSD17B10CFTRMAPTGAA
SCHEMBL25111828 0.77 ALDH1A1 (0.45) ALDH1A1HSD17B10CFTRMAPTGAA
SCHEMBL14877999 0.74 ALDH1A1 (0.47) ALDH1A1HSD17B10CFTRMAPTGAA
SCHEMBL11143059 0.73 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPTGAAKDM4E
SCHEMBL11143057 0.73 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPTGAAKDM4E
SCHEMBL18697913 0.72 ALDH1A1 (0.50) ALDH1A1HSD17B10CFTRMAPTGAA
SCHEMBL21808158 0.72 MAPT (0.49) ALDH1A1HSD17B10CFTRMAPTGAA
SCHEMBL21808157 0.72 MAPT (0.49) ALDH1A1HSD17B10CFTRMAPTGAA
SCHEMBL8413968 0.72 ALDH1A1 (0.41) ALDH1A1HSD17B10CFTRMAPTGAA
SCHEMBL7787413 0.72 ALDH1A1 (0.41) ALDH1A1HSD17B10CFTRMAPTGAA

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-4323662-A Thermosetting resin compositions comprising bismaleimides and alkenylaniline derivatives MITSUI TOATSU CHEMICALS, INC. (JP) 1982-04-06 — — US disclosed
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