SCHEMBL6986228

SCHEMBL6986228

O=[N+]([O-])c1cccc(CC(Cl)(Cl)Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.66
LMNA P02545 3/20 0.55
ALDH1A1 P00352 6/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ACHE P22303 1/20 0.47
ALOX15 P16050 1/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PYCR1 P32322 1/20 0.47
HSP90AA1 P07900 1/20 0.46
PTPN1 P18031 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL29299422 0.83 TSHR (0.58) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL11566607 0.82 TSHR (0.57) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL679046 0.82 TSHR (0.61) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL27323340 0.82 TSHR (0.61) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL30781045 0.82 TSHR (0.61) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL356063 0.79 TSHR (1.00) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL9710728 0.79 TSHR (1.00) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL27471576 0.79 TSHR (0.57) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL10918542 0.79 TSHR (0.71) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL18970231 0.78 TSHR (0.56) TSHRLMNAALDH1A1TDP1CYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773235-B Synthesis method of clorsulon 北大方正集团有限公司 2022-06-17 CN claimed
CN-113773235-A Synthesis method of clorsulon 北大方正集团有限公司 2021-12-10 CN claimed
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP claimed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO claimed
CN-113773235-B Synthesis method of clorsulon 北大方正集团有限公司 2022-06-17 CN disclosed
CN-113773235-A Synthesis method of clorsulon 北大方正集团有限公司 2021-12-10 CN disclosed
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP disclosed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO disclosed