SCHEMBL28137293

SCHEMBL28137293

CCCCOC(=O)C(N)(N)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP3A4 P08684 6/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.46
CYP2D6 P10635 3/20 0.46
LMNA P02545 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
SCN1A P35498 3/20 0.46
SCN2A Q99250 3/20 0.46
SCN3A Q9NY46 3/20 0.46
NFKB1 P19838 1/20 0.46
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL28842039 0.90 LMNA (0.51) TSHRALDH1A1HSD17B10CYP3A4CYP2D6
SCHEMBL7357017 0.86 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL8677674 0.84 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL8168380 0.83 KCNN4 (0.55) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL28558105 0.83 TSHR (0.54) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL27605908 0.83 PIN1 (0.53) TSHRTDP1ALDH1A1HSD17B10CHRM2
SCHEMBL2418304 0.82 TSHR (0.53) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL16732083 0.82 TSHR (0.53) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL10029779 0.82 CHRM2 (0.66) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL14258113 0.82 TSHR (0.53) TSHRTDP1L3MBTL1ALDH1A1HSD17B10

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
CN-104178181-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2017-04-12 CN disclosed