SCHEMBL18112623

SCHEMBL18112623

O=C(O)c1ccc(C=CC2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.35
APP P05067 4/20 0.33
PTPN2 P17706 1/20 0.33
PTPN6 P29350 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PIM1 P11309 1/20 0.30

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
SCHEMBL18112622 1.00 PTPN1 (0.35) PTPN1APPPTPN2PTPN6MEN1
SCHEMBL18112624 0.87 MEN1 (0.31) MEN1KMT2A
SCHEMBL18112625 0.87 MEN1 (0.31) MEN1KMT2A
SCHEMBL18118856 0.87 HTRA1 (0.30) MEN1KMT2A
SCHEMBL18118795 0.85 TRPV1 (0.33)
SCHEMBL18118853 0.83
SCHEMBL2015655 0.80 CA1 (0.35)
SCHEMBL18118860 0.79 MEN1 (0.33) MEN1KMT2A
SCHEMBL18118854 0.79 KMT2A (0.34) MEN1KMT2A
SCHEMBL18112606 0.79 BACE1 (0.33)

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
WO-2016155831-A1 ISOXAZOLINE-STYRENE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-10-06 WO disclosed