SCHEMBL9137901

SCHEMBL9137901

CC(C(=NO)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1)[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ TTR P02766 1/20 0.48
▸ PPOX P50336 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ FFAR1 O14842 3/20 0.42
▸ MRGPRX4 Q96LA9 7/20 0.42
▸ LMNA P02545 6/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10378572 0.89 MEN1 (0.47) MEN1KMT2ATTRPPOXTDP1
SCHEMBL11127651 0.88 CYP3A4 (0.36) MEN1KMT2ATTRPPOXTDP1
SCHEMBL8560878 0.87 MEN1 (0.53) MEN1KMT2ATTRPPOXTDP1
SCHEMBL147231 0.86 MEN1 (0.47) MEN1KMT2ATTRPPOXTDP1
SCHEMBL11116675 0.85 TLR7 (0.34) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10381556 0.80 MEN1 (0.50) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10377601 0.79 MEN1 (0.52) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10734712 0.78 MEN1 (0.51) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10378779 0.78 MEN1 (0.51) MEN1KMT2ATTRPPOXTDP1
Ammonia Solution, Strong SCHEMBL10379183 0.78 MEN1 (0.51) MEN1KMT2ATTRPPOXTDP1

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-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 — — US disclosed
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