SCHEMBL28858358

SCHEMBL28858358

Cc1cccc(C#N)c1-c1ccccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR7 P34969 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CD44 P16070 1/20 0.41
PDK2 Q15119 1/20 0.40
USP8 P40818 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.39
AR P10275 1/20 0.39
KDM1A O60341 1/20 0.38

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
SCHEMBL2186547 0.87 TSHR (0.59) TSHRHTR1ADRD2HTR7LMNA
SCHEMBL29993118 0.86 TSHR (0.53) TSHRHTR1ADRD2HTR7CYP3A4
SCHEMBL28930001 0.85 ALDH1A1 (0.50) TSHRCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL1132593 0.81 TSHR (0.61) TSHRHTR1ADRD2HTR7LMNA
SCHEMBL15536685 0.81 TSHR (0.61) TSHRHTR1ADRD2HTR7LMNA
SCHEMBL21022697 0.80 TSHR (0.65) TSHRHTR1ADRD2HTR7CYP1A2
SCHEMBL21155323 0.80 ALDH1A1 (0.57) TSHRHTR7CYP3A4TDP1ALDH1A1
SCHEMBL3259923 0.79 CYP1A2 (0.47) TSHRCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL15856496 0.79 TSHR (0.50) TSHRHTR1ADRD2HTR7CYP1A2
SCHEMBL21022696 0.78 TSHR (0.62) TSHRHTR1ADRD2HTR7CYP1A2

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-115197278-A Organic electroluminescent material and device 环球展览公司 2022-10-18 CN disclosed