SCHEMBL3827372

SCHEMBL3827372

O=C(NCc1ccccc1)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.46
TRPA1 O75762 1/20 0.45
MMP8 P22894 3/20 0.44
MMP3 P08254 2/20 0.44
BACE1 P56817 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
P2RX7 Q99572 1/20 0.42

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
SCHEMBL4842475 0.94 BACE1 (0.47) RORCTRPA1MMP8MMP3BACE1
SCHEMBL4844942 0.94 RORC (0.43) RORCTRPA1MMP8MMP3BACE1
SCHEMBL4842623 0.94 BACE1 (0.47) RORCTRPA1MMP8MMP3BACE1
SCHEMBL4834178 0.94 BACE1 (0.47) RORCTRPA1MMP8MMP3BACE1
SCHEMBL4834162 0.94 BACE1 (0.46) RORCTRPA1MMP8MMP3BACE1
Potassium SCHEMBL4841487 0.94 BACE1 (0.46) RORCTRPA1MMP8MMP3BACE1
SCHEMBL4842113 0.94 RORC (0.44) RORCTRPA1MMP8MMP3BACE1
SCHEMBL4841476 0.94 BACE1 (0.46) RORCTRPA1MMP8MMP3BACE1
SCHEMBL4841534 0.94 LIPG (0.45) RORCTRPA1MMP8MMP3KMT2A
SCHEMBL4033777 0.93 BACE1 (0.45) RORCTRPA1MMP8MMP3BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885695-B8 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-08-12 EP disclosed
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed
EP-1885695-A2 NOVEL INDOLINE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2008-02-13 EP disclosed
WO-2007000550-A2 NOVEL INDOLINE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2007-01-04 WO disclosed