SCHEMBL9751305

SCHEMBL9751305

O=C(O)c1cc(Oc2c(F)cc(C(F)(F)F)cc2F)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
TTR P02766 1/20 0.47
PPOX P50336 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MRGPRX4 Q96LA9 4/20 0.45
CCR1 P32246 1/20 0.43
CCR2 P41597 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
TLR8 Q9NR97 6/20 0.41
TLR7 Q9NYK1 4/20 0.41
THRB P10828 2/20 0.41
THRA P10827 1/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
SCN9A Q15858 1/20 0.38
FFAR1 O14842 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
SCHEMBL9751346 0.95 MEN1 (0.48) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10667115 0.89 MEN1 (0.52) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9751312 0.84 MEN1 (0.41) MEN1TTRPPOXKMT2ATDP1
SCHEMBL8321859 0.84 MEN1 (0.46) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10809942 0.80 RAF1 (0.45) ALDH1A1TLR8TLR7SCN9A
SCHEMBL9751309 0.80 TDP1 (0.70) MEN1TTRPPOXKMT2ATDP1
SCHEMBL31118332 0.80 ALDH1A1 (0.49) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10668736 0.80 TDP1 (0.64) MEN1TTRPPOXKMT2ATDP1
SCHEMBL8382590 0.79 MEN1 (0.47) MEN1TTRPPOXKMT2ATDP1
SCHEMBL6290662 0.78 MEN1 (0.72) MEN1TTRPPOXKMT2ATDP1

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-4992089-A Pre- and postemergence IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-12 US disclosed
EP-0228788-B1 HERBICIDAL DERIVATIVES OF SUBSTITUTED BENZOYL-HYDRAZINIUM COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-12-27 EP disclosed