SCHEMBL1229148

SCHEMBL1229148

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(NC(=O)O)cs2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
CCR1 P32246 1/20 0.44
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 1/20 0.37

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
SCHEMBL1227053 0.91 GAA (0.44) GAACCR1LMNAPOLBTSHR
SCHEMBL1227005 0.90 GAA (0.43) GAACCR1POLBTSHRKDM4E
SCHEMBL1228685 0.88 GAA (0.42) GAACCR1POLBTSHRKDM4E
SCHEMBL1228580 0.87 GAA (0.44) GAACCR1LMNAPOLBTSHR
SCHEMBL121172 0.87 GAA (0.50) GAACCR1LMNAPOLBTSHR
SCHEMBL13523714 0.87 GAA (0.50) GAACCR1LMNAPOLBTSHR
SCHEMBL1227001 0.87 GAA (0.42) GAACCR1LMNAPOLBTSHR
SCHEMBL1879570 0.86 GAA (0.49) GAACCR1LMNAPOLBTSHR
SCHEMBL1228467 0.86 CCR1 (0.40) GAACCR1LMNAPOLBTSHR
SCHEMBL20801744 0.86 GAA (0.51) GAACCR1LMNAPOLBTSHR

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-2464643-A1 MICROBIOCIDAL HETEROCYCLES Syngenta Participations AG (CH) 2012-06-20 EP disclosed
WO-2011018401-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2011-02-17 WO disclosed