SCHEMBL9800131

SCHEMBL9800131

O=C1c2ccccc2C(=O)N1CCc1cc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)cc(CCN3C(=O)c4ccccc4C3=O)cc2F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.41
ADRA1D P25100 4/20 0.39
ADRA1A P35348 4/20 0.39
ADRA1B P35368 4/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HSD17B10 Q99714 2/20 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
SCHEMBL9800006 0.82 MEN1 (0.36) CASP3ALDH1A1LMNAL3MBTL1HPGD
SCHEMBL483083 0.71 SCN2A (0.33) ALDH1A1KMT2ACASP1
SCHEMBL2502450 0.68
SCHEMBL2496203 0.68
SCHEMBL7954280 0.66 CASP3 (0.65) CASP3ADRA1DADRA1AADRA1BCA1
SCHEMBL7954623 0.65 CASP3 (0.59) CASP3CA1CA2CA4CA9
SCHEMBL29724090 0.65 CASP3 (0.86) CASP3ADRA1DADRA1AADRA1BCA1
SCHEMBL1142116 0.65 CASP3 (0.86) CASP3ADRA1DADRA1AADRA1BCA1
SCHEMBL18074272 0.64 CASP3 (0.67) CASP3ADRA1DADRA1AADRA1BCA1
SCHEMBL476943 0.63 KMT2A (0.76) CASP3ADRA1DADRA1AADRA1BCA1

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-5068371-A Photoinitiators for polymerization CIBA-GEIGY CORPORATION (US) 1991-11-26 US disclosed