SCHEMBL10405142

SCHEMBL10405142

C[S+](C)CC(=O)c1ccccc1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 6/20 0.42
GSK3B P49841 2/20 0.42
PTPN1 P18031 2/20 0.42
HIF1A Q16665 2/20 0.42
TRPA1 O75762 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL686321 0.89 KMT2A (0.56) LMNAPOLBKMT2AMAPTHPGD
Bromide SCHEMBL394250 0.87 KMT2A (0.54) LMNAPOLBKMT2AMAPTHPGD
Hydrochloric Acid SCHEMBL60929 0.87 KMT2A (0.54) LMNAPOLBKMT2AMAPTHPGD
SCHEMBL394058 0.85 MAPT (0.48) LMNAPOLBKMT2AMAPTHPGD
SCHEMBL30112595 0.85 KMT2A (0.48) LMNAPOLBKMT2AMAPTHPGD
Dimethylamine SCHEMBL6289518 0.81 KMT2A (0.54) LMNAPOLBKMT2AMAPTHPGD
SCHEMBL8150640 0.79 MAPT (0.45) LMNAPOLBKMT2AMAPTHPGD
Diethylamine SCHEMBL6289059 0.77 KMT2A (0.48) LMNAKMT2AMAPTHPGDMAPK1
Trifluoromethanesulfonic Acid SCHEMBL3088978 0.77 RECQL (0.42) LMNAPOLBKMT2AMAPTHPGD
SCHEMBL565176 0.77 MAPT (0.56) LMNAPOLBKMT2AMAPTHPGD

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-4954631-A INFRARED ABSORPTION; BLACK SHIN NISSO KAKO CO., LTD. (JP) 1990-09-04 US disclosed
US-4826806-A CHROMOGENIC DYES SHIN NISSO KAKO CO., LTD. (JP) 1989-05-02 US disclosed