SCHEMBL9314628

SCHEMBL9314628

O=S(=O)(Oc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(OS(=O)(=O)c3ccccc3)c2F)c1F)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
HTR6 P50406 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 5/20 0.33
KMT2A Q03164 5/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 3/20 0.32
PTPN1 P18031 1/20 0.32
MEN1 O00255 3/20 0.32
GAA P10253 3/20 0.32
HTT P42858 2/20 0.32
POLB P06746 2/20 0.32
MAPK1 P28482 1/20 0.32
MCL1 Q07820 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALPL P05186 1/20 0.32

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
SCHEMBL9314350 0.90 KMT2A (0.36) ALDH1A1HTR6TDP1MAPTKMT2A
SCHEMBL9315689 0.82 ALPI (0.39) SMN1; SMN2LMNAHTTALPL
SCHEMBL5915934 0.77 HTR2A (0.32) LMNAHTTMAPK1RAB9A
SCHEMBL9314322 0.77 KMT2A (0.37) ALDH1A1L3MBTL1TDP1MAPTKMT2A
SCHEMBL8376244 0.75 KDM1A (0.37) ALDH1A1L3MBTL1HTT
SCHEMBL9314392 0.74 CYP4F2 (0.40) ALDH1A1KDM4EGAARAB9A
SCHEMBL9315387 0.74
SCHEMBL5915980 0.73
SCHEMBL9314259 0.73 PHGDH (0.36) ALDH1A1MAPT
SCHEMBL29104874 0.72 CCR2 (0.31)

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-5306600-A Oxygen-containing titanocenes, and the use thereof CIBA-GEIGY CORPORATION (US) 1994-04-26 US disclosed
US-5192642-A Photoinitiators for addition photopolymerization, coatings CIBA-GEIGY CORPORATION (US) 1993-03-09 US disclosed