SCHEMBL30076337

SCHEMBL30076337

O=C=Nc1ccc(OC(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
CASP3 P42574 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.35
TXNRD1 Q16881 1/20 0.35
GPR3 P46089 1/20 0.34
PTPN1 P18031 1/20 0.33
LMNA P02545 1/20 0.33
DHODH Q02127 1/20 0.33
THRB P10828 1/20 0.33
CES1 P23141 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL19135997 1.00 MEN1 (0.38) MEN1KMT2ASMN1; SMN2MITFMAPT
SCHEMBL3836840 0.81 ALDH1A1 (0.51) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL31152344 0.81 ALDH1A1 (0.51) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL29190922 0.79 MEN1 (0.39) MEN1KMT2ASMN1; SMN2MITFMAPT
SCHEMBL3842407 0.78 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3836346 0.77 MAPT (0.55) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL4592987 0.76 GPR3 (0.38) MEN1KMT2ASMN1; SMN2MAPTTP53
SCHEMBL9826837 0.76 CYP3A4 (0.41) ALDH1A1KDM4EGPR3CES1CYP3A4
SCHEMBL11339200 0.76 GPR3 (0.38) ALDH1A1KDM4EGPR3CES1CYP3A4
SCHEMBL1019385 0.75 TDP1 (0.50) MAPTALDH1A1CYP3A4HPGDTDP1

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
EP-3408271-B1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMA (US) 2023-01-11 EP disclosed