SCHEMBL28114782

SCHEMBL28114782

O=COCc1ncc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
APEX1 P27695 1/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
PLAU P00749 1/20 0.33
MCHR1 Q99705 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
S1PR4 O95977 1/20 0.31
ORAI1 Q96D31 1/20 0.31
P2RX7 Q99572 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
SCHEMBL27297887 0.83 L3MBTL1 (0.36) L3MBTL1TDP1LMNASMN1; SMN2CYP2C9
SCHEMBL28329349 0.80
SCHEMBL22912582 0.76 L3MBTL1 (0.41) L3MBTL1TDP1LMNASMN1; SMN2CYP2C9
SCHEMBL28083974 0.73
SCHEMBL16232245 0.73 NOTUM (0.44) TDP1TSHRMAPK1ALDH1A1POLB
SCHEMBL6490655 0.72 L3MBTL1 (0.40) L3MBTL1TDP1LMNASMN1; SMN2CYP2C9
SCHEMBL97309 0.71 ERN1 (0.36) TDP1LMNATSHRALDH1A1CYP1A2
SCHEMBL10926498 0.70 LMNA (0.31) LMNASMN1; SMN2CYP2C9TSHRAPEX1
SCHEMBL7995407 0.70 LMNA (0.41) L3MBTL1TDP1LMNASMN1; SMN2CYP2C9
SCHEMBL28089027 0.69 GRM2 (0.37) L3MBTL1SMN1; SMN2TSHRALDH1A1MCHR1

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-106232582-A Aryl and heteroaryl ether compound as ROR gamma modulators 格兰马克药品股份有限公司 2016-12-14 CN disclosed