SCHEMBL29746444

SCHEMBL29746444

O=C1Cc2ccc(CCl)cc2N1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.61
CMA1 P23946 2/20 0.61
EIF2AK2 P19525 1/20 0.54
CRBN Q96SW2 3/20 0.54
PDK2 Q15119 1/20 0.48
MAOB P27338 4/20 0.43
PGR P06401 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
CA9 Q16790 1/20 0.39
TDP2 O95551 3/20 0.38
MAOA P21397 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
SCHEMBL24570314 1.00 AHR (0.61) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL24570672 0.86 AHR (0.61) AHRCMA1CRBNPDK2MAOB
SCHEMBL12123840 0.82 AHR (0.56) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL29746650 0.82 AHR (0.56) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL2811609 0.82 AHR (0.56) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL4509576 0.82 AHR (0.56) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL290258 0.82 AHR (0.61) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL17080910 0.79 AHR (0.53) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL4511892 0.79 AHR (0.53) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL12470247 0.78 EIF2AK2 (0.54) AHRCMA1EIF2AK2CRBNPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583286-A Tetrahydrothienopyrimidine sulfonamide compounds 某久拉斯株式会社 2023-08-11 CN disclosed
WO-2022138812-A1 TETRAHYDRO THIENOPYRIDINE SULFONAMIDE COMPOUND モジュラス株式会社 2022-06-30 WO disclosed