SCHEMBL14732012

SCHEMBL14732012

O=[N+]([O-])c1ccccc1-c1[c]ccc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.37
MAOB P27338 1/20 0.35
GAA P10253 3/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MASP2 O00187 1/20 0.34
F2 P00734 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 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
SCHEMBL7891444 0.85 MASP2 (0.45) ALDH1A1TDP1LMNAMAOBMASP2
SCHEMBL14732011 0.79 NPC1 (0.31) CYP1A2NPC1
SCHEMBL14732007 0.78 AR (0.31) PDK2
SCHEMBL14732006 0.74 PTPN5 (0.36) PDK2
SCHEMBL8907017 0.74 ALDH1A1 (0.47) ALDH1A1TDP1LMNAMAOBGABRA1
SCHEMBL4375599 0.70 ALDH1A1 (0.53) ALDH1A1TDP1LMNAMAOBGAA
SCHEMBL10449096 0.69 ALDH1A1 (0.51) ALDH1A1TDP1GAAMAPK1MEN1
SCHEMBL24710396 0.68 ALDH1A1 (0.50) ALDH1A1TDP1LMNAGAACYP3A4
SCHEMBL2106091 0.68 ALDH1A1 (0.35) ALDH1A1TDP1LMNAMAOBGAA
SCHEMBL24711415 0.67 TDP1 (0.50) ALDH1A1TDP1LMNACYP3A4HIF1A

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
US-8389766-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 US disclosed