SCHEMBL28433656

SCHEMBL28433656

Cc1ccc(S(=O)(=O)n2cc([N+](=O)[O-])c3c(C)cccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.56
HTR2A P28223 5/20 0.56
HTR2C P28335 3/20 0.56
KDM4E B2RXH2 1/20 0.47
UBE2N P61088 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
DRD3 P35462 1/20 0.44
ALK Q9UM73 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
ALDH3A1 P30838 1/20 0.43
HTT P42858 1/20 0.43
NOD1 Q9Y239 1/20 0.43

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
SCHEMBL16079468 0.82 HTR6 (0.60) HTR6HTR2AHTR2CKDM4EUBE2N
SCHEMBL26378166 0.82 HTR6 (0.60) HTR6HTR2AHTR2CL3MBTL1MEN1
SCHEMBL28441278 0.81 KDM4E (0.63) HTR6HTR2AHTR2CKDM4EUBE2N
SCHEMBL17422026 0.80 HTR6 (0.69) HTR6HTR2AHTR2CKDM4EUBE2N
SCHEMBL3678959 0.80 CA1 (0.51) HTR6HTR2AHTR2CKDM4EUBE2N
SCHEMBL31315855 0.80 KDM4E (0.50) HTR6HTR2AHTR2CKDM4EUBE2N
SCHEMBL18690957 0.79 HTR6 (0.62) HTR6HTR2AHTR2CKDM4EUBE2N
SCHEMBL28440054 0.76 KDM4E (0.49) HTR6HTR2AHTR2CKDM4EUBE2N
SCHEMBL13378914 0.75 HTR6 (0.51) HTR6HTR2AHTR2CHTR1DHTR1B
SCHEMBL30958262 0.75 HTR6 (0.53) HTR6HTR2AHTR2CKDM4EUBE2N

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-109081807-B Method for preparing tri-substituted 4-aminocarbazole and di-substituted 1-aminodibenzo [ b, d ] thiophene compounds 台州学院 2020-08-04 CN disclosed