SCHEMBL8320920

SCHEMBL8320920

CC(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=C(C#N)C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.40
LMNA P02545 4/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRB2 P47870 1/20 0.32
DHODH Q02127 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8649310 0.74 HSP90AA1 (0.37) KMT2AL3MBTL1HSP90AA1ALDH1A1MEN1
SCHEMBL8458358 0.74 HSP90AA1 (0.37) KMT2AL3MBTL1HSP90AA1LMNAALDH1A1
SCHEMBL8317686 0.70 HSP90AA1 (0.46) KMT2AL3MBTL1HSP90AA1ALDH1A1GAA
SCHEMBL1508 0.70 HSP90AA1 (0.55) KMT2AL3MBTL1HSP90AA1ALDH1A1USP2
SCHEMBL13800708 0.70 HSP90AA1 (0.46) KMT2AL3MBTL1HSP90AA1ALDH1A1USP2
Acetic Acid SCHEMBL30721072 0.68 HSP90AA1 (0.53) KMT2AL3MBTL1HSP90AA1USP2ALOX15
SCHEMBL178769 0.67 ALDH1A1 (0.48) KMT2AL3MBTL1LMNAALDH1A1GAA
Triphenylphosphine Oxide SCHEMBL1873876 0.66 KMT2A (0.50) KMT2AL3MBTL1LMNAALDH1A1USP2
SCHEMBL7240864 0.66 KMT2A (0.50) KMT2AL3MBTL1LMNAALDH1A1USP2
SCHEMBL4968872 0.65 CA2 (0.43) KMT2AL3MBTL1HSP90AA1ALDH1A1USP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808129-A Process for the preparation of novel stabilized phosphorus ylides HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-15 US claimed
US-5856558-A REACTING 2-FORMYL- OR 2-OXOALKYLIDENETRIPHENYLPHOSPHORANE WITH A CHLORINATING AGENT; HEATING; THEN NUCLEOPHILIC AGENT HOECHST AKTIENGESELLSCHAFT (DE) 1999-01-05 US disclosed
US-5808129-A Process for the preparation of novel stabilized phosphorus ylides HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed