SCHEMBL11077229

SCHEMBL11077229

COC(=NC(=O)Nc1cccc(OC(F)(F)C(Cl)Cl)c1)c1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 2/20 0.41
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
P2RX1 P51575 1/20 0.38

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
SCHEMBL11077225 1.00 LMNA (0.50) LMNAPOLBRAB9AALDH1A1GAA
SCHEMBL11119140 0.91 LMNA (0.47) LMNAPOLBRAB9AALDH1A1GAA
SCHEMBL11119143 0.91 LMNA (0.47) LMNAPOLBRAB9AALDH1A1GAA
SCHEMBL11079132 0.90 TLR8 (0.40) LMNAPOLBRAB9AALDH1A1GAA
SCHEMBL11079135 0.90 TLR8 (0.40) LMNAPOLBRAB9AALDH1A1GAA
SCHEMBL11068163 0.90 LMNA (0.50) LMNAPOLBRAB9AALDH1A1GAA
SCHEMBL11068164 0.90 LMNA (0.50) LMNAPOLBRAB9AALDH1A1GAA
SCHEMBL11071544 0.82 ALDH1A1 (0.40) LMNAPOLBALDH1A1GAASMN1; SMN2
SCHEMBL11071541 0.82 ALDH1A1 (0.40) LMNAPOLBALDH1A1GAASMN1; SMN2
SCHEMBL11079005 0.81 TLR8 (0.41) LMNAPOLBRAB9AGAANPC1

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-4431667-A Imino ethers useful for controlling insect and arachnoid pests THE UPJOHN COMPANY (US) 1984-02-14 US disclosed