SCHEMBL18106097

SCHEMBL18106097

Bc1ccc(NC(=O)C=C)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 14/20 0.66
▸ F13A1 P00488 4/20 0.66
▸ TGM1 P22735 4/20 0.66
▸ LMNA P02545 1/20 0.66
▸ TGM3 Q08188 1/20 0.66
▸ THRA P10827 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ FGFR1 P11362 1/20 0.43
▸ FGFR4 P22455 1/20 0.43
▸ TDP2 O95551 1/20 0.42
▸ GSTO1 P78417 1/20 0.42

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
SCHEMBL439369 0.89 TGM2 (0.79) TGM2F13A1TGM1LMNATGM3
SCHEMBL28703875 0.81 TGM2 (0.68) TGM2F13A1TGM1LMNATGM3
SCHEMBL7270679 0.81 TGM2 (0.68) TGM2F13A1TGM1LMNATGM3
SCHEMBL133445 0.81 TGM2 (0.68) TGM2F13A1TGM1LMNATGM3
SCHEMBL3064236 0.79 TGM2 (0.66) TGM2F13A1TGM1LMNATGM3
SCHEMBL1381911 0.79 TGM2 (0.66) TGM2F13A1TGM1LMNATGM3
SCHEMBL6358305 0.79 TGM2 (0.71) TGM2F13A1TGM1LMNATGM3
SCHEMBL19393388 0.79 TGM2 (0.66) TGM2F13A1TGM1LMNATGM3
SCHEMBL6481884 0.79 TGM2 (0.66) TGM2F13A1TGM1LMNATGM3
SCHEMBL10986032 0.79 TGM2 (0.66) TGM2F13A1TGM1LMNATGM3

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-2016154317-A2 POLYMERS, HYDROGELS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-29 — — WO disclosed
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