SCHEMBL11080529

SCHEMBL11080529

COC(=NC(=O)NCc1ccc(OC(F)(F)C(Cl)Cl)cc1)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GFER P55789 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
MT-CO2 P00403 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11072603 0.91 TDP1 (0.37) TDP1HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL11078044 0.91 EPHX2 (0.40) TDP1HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL11075301 0.89 LMNA (0.39) LMNAALDH1A1SMN1; SMN2NPSR1RAB9A
SCHEMBL11079262 0.85 TDP1 (0.49) TDP1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL11079265 0.85 TDP1 (0.49) TDP1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL11074228 0.83 MEN1 (0.38) ALDH1A1SMN1; SMN2RAB9ANPC1EPHX2
SCHEMBL11073529 0.82 CARM1 (0.38) LMNAALDH1A1NPSR1RAB9ANPC1
SCHEMBL11079072 0.82 EPHX2 (0.40) HPGDLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL11079539 0.81 EPHX2 (0.39) RAB9ANPC1EPHX2KMT2A
SCHEMBL11077930 0.81 PPARD (0.36) LMNARAB9ANPC1EPHX2NR1H4

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