SCHEMBL4033168

SCHEMBL4033168

O=C(NCCOc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccccc2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ENPP2 Q13822 1/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.36
KCNH2 Q12809 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
VDR P11473 1/20 0.35
HPGD P15428 1/20 0.34
MMP8 P22894 4/20 0.34
MMP3 P08254 2/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4841372 0.87 TRPA1 (0.39) ALDH1A1SMN1; SMN2HPGDMMP8MMP3
SCHEMBL4039661 0.82 TRPA1 (0.40) ALDH1A1SMN1; SMN2HPGDMMP8TRPA1
SCHEMBL4033850 0.80 MAPT (0.39) ALDH1A1POLBKDM4ESMN1; SMN2HPGD
SCHEMBL4841126 0.77 RORC (0.40) MMP8MMP3TRPA1
SCHEMBL4843267 0.77 RORC (0.41) MMP8MMP3TRPA1
SCHEMBL4839389 0.76 RORC (0.39) MMP8MMP3TRPA1
SCHEMBL4033378 0.76 RORC (0.40) MMP8MMP3TRPA1
SCHEMBL4841542 0.76 RORC (0.42) MMP8MMP3TRPA1
SCHEMBL4840174 0.74 RORC (0.41) POLBSMN1; SMN2TRPA1
SCHEMBL4039136 0.74 RORC (0.41) TRPA1

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
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed