SCHEMBL11233103

SCHEMBL11233103

O=S(=O)(O)c1ccc(NCc2ccccc2F)cc1.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
TYMS P04818 1/20 0.51
LMNA P02545 5/20 0.50
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ATM Q13315 1/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL11231658 0.98 KMT2A (0.59) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11233100 0.83 KMT2A (0.59) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL28755866 0.81 CA2 (0.77) KMT2AMEN1CA2CA12CA1
SCHEMBL28755889 0.81 CA2 (0.77) KMT2AMEN1CA2CA12CA1
Formaldehyde SCHEMBL28755980 0.79 CA2 (0.73) KMT2AMEN1CA2CA12CA1
SCHEMBL28701625 0.78 PRMT1 (0.54) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11214392 0.78 CA1 (0.68) CYP1A2SMN1; SMN2CYP2D6CA2CA12
SCHEMBL11156936 0.77 CA2 (0.50) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11513654 0.76 KMT2A (0.72) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL9189617 0.76 CA1 (0.70) CYP1A2SMN1; SMN2CYP2D6CA2CA12

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-4328244-A ANTIVIRAL AGENT THE DOW CHEMICAL COMPANY (US) 1982-05-04 US disclosed