SCHEMBL17755255

SCHEMBL17755255

Cc1c(N)cccc1/C=C\C=N

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.41
▸ CD44 P16070 1/20 0.34
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL13210354 0.81 CYP3A4 (0.48) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL15132861 0.80 TRPA1 (0.37) TSHRALDH1A1SMN1; SMN2
SCHEMBL17266679 0.77 TRPA1 (0.43) ALDH1A1TDP1
SCHEMBL17379744 0.76 NFE2L2 (0.46) ALDH1A1
SCHEMBL1845335 0.71 TSHR (0.56) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL1123463 0.71 CYP3A4 (0.56) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL9805298 0.71 ALDH1A1 (0.48) TSHRALDH1A1SMN1; SMN2
SCHEMBL16131275 0.71 ALDH1A1 (0.48) TSHRALDH1A1SMN1; SMN2
SCHEMBL24425997 0.70 CYP3A4 (0.45) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL15949912 0.70 CA1 (0.50) CYP3A4TSHRPIK3CASMN1; SMN2

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
WO-2016077240-A2 ANTI-HCMV COMPOSITIONS AND METHODS FORGE LIFE SCIENCE, LLC (US) 2016-05-19 — — WO disclosed
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