SCHEMBL4652967

SCHEMBL4652967

CS(=O)(=O)c1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(C(=O)O)cs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.42
CCR1 P32246 4/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OGA O60502 1/20 0.37
LDHA P00338 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL1758544 0.88 CCR1 (0.53) PTGER1CCR1ALDH1A1KDM4EGAA
SCHEMBL8513972 0.79 CCR1 (0.52) CCR1ALDH1A1KDM4EGAAOGA
SCHEMBL25757907 0.77 CCR1 (0.50) CCR1ALDH1A1KDM4EGAAPOLB
SCHEMBL2579871 0.77 CCR1 (0.52) CCR1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL8513975 0.75 CCR1 (0.54) CCR1KDM4EGAAPOLBL3MBTL1
SCHEMBL25757726 0.75 CCR1 (0.51) CCR1KDM4EGAAPOLBL3MBTL1
SCHEMBL1758546 0.75 CCR1 (0.54) CCR1KDM4EGAAPOLBL3MBTL1
SCHEMBL28799628 0.73 CCR1 (0.50) CCR1ALDH1A1KDM4EGAAPOLB
SCHEMBL1758419 0.73 GAA (0.49) CCR1ALDH1A1KDM4EGAAPOLB
SCHEMBL27863436 0.72 CCR1 (0.53) CCR1KDM4EGAAPOLBL3MBTL1

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
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed