SCHEMBL8923180

SCHEMBL8923180

Cc1c(F)c(F)c(Oc2ccc([N+](=O)[O-])c(C(=O)NS(C)(=O)=O)c2)c(Cl)c1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 15/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ SCN5A Q14524 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ PPOX P50336 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MITF O75030 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36

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
SCHEMBL31118331 0.88 SCN9A (0.44) SCN9ATDP1SCN5AMEN1TTR
SCHEMBL11365028 0.87 TDP1 (0.39) SCN9ATDP1MEN1TTRPPOX
SCHEMBL11213666 0.85 TDP1 (0.57) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11190333 0.84 TDP1 (0.43) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9120594 0.84 MEN1 (0.52) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10430085 0.83 TDP1 (0.43) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10663135 0.82 TDP1 (0.41) SCN9ATDP1SCN5AMEN1TTR
SCHEMBL10495360 0.82 TDP1 (0.41) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10672572 0.81 TDP1 (0.53) SCN9ATDP1MEN1TTRPPOX
SCHEMBL11354485 0.81 SCN9A (0.48) SCN9ATDP1SCN5AMEN1TTR

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
US-5593942-A MIXTURES OF HERBICIDES WITH SYNERGISTIC COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 — — US disclosed
EP-0186989-B1 5-(2-CHLORO-4-TRIFLUOROMETHYLPHENOXY)-2-NITRO-ALPHA-SUBSTITUTED-ACETOPHENONE, OXIME DERIVATIVE THEREOF, PROCESS FOR PREPARING THEREOF, HERBICIDAL COMPOSITION, AND METHOD FOR THE DESTRUCTION OF UNDESIRABLE WEEDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1990-09-26 — — EP disclosed
Send feedback