SCHEMBL3881583

SCHEMBL3881583

O=S(=O)([O-])c1ccccc1.Oc1ccc([S+]2CCCC2)c2ccccc12

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
APOBEC3A P31941 1/20 0.39
CASP6 P55212 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
LDHA P00338 1/20 0.37
IDO1 P14902 1/20 0.36
PTPN1 P18031 1/20 0.36
DUSP5 Q16690 1/20 0.36
EP300 Q09472 2/20 0.35
KAT2B Q92831 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
HKDC1 Q2TB90 2/20 0.35
GAA P10253 4/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
G6PD P11413 1/20 0.34

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
SCHEMBL6566223 0.91 EP300 (0.47) KMT2APOLBAPOBEC3ACASP6CTDSP1
Trifluoromethanesulfonic Acid SCHEMBL515598 0.83 LDHA (0.37) KMT2ALDHAIDO1EP300KAT2B
SCHEMBL113203 0.83 IDO1 (0.52) LDHAIDO1EP300KAT2BKAT8
Trifluoromethanesulfonic Acid SCHEMBL31168280 0.83 LDHA (0.37) KMT2ALDHAIDO1EP300KAT2B
SCHEMBL6564827 0.83 MEN1 (0.50) KMT2APOLBPTPN1DUSP5EP300
SCHEMBL3870651 0.83 LDHA (0.35) LDHAIDO1EP300KAT2BKAT8
Hydrochloric Acid SCHEMBL667919 0.82 IDO1 (0.50) LDHAIDO1EP300KAT2BKAT8
SCHEMBL3881541 0.78 LDHA (0.37) KMT2APOLBLDHAGAAMEN1
SCHEMBL516312 0.77 CA1 (0.34) LDHAIDO1EP300KAT2BKAT8
SCHEMBL515864 0.76 CA1 (0.35) LDHAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638261-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-12-29 US disclosed
US-20090148790-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-06-11 US disclosed
US-7521169-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-04-21 US disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed
EP-1557718-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-07-27 EP disclosed
US-20030219680-A1 Photoresists useful for microfabrication utilizing deep ultraviolet rays such as an excimer laser, x-rays such as synchrotron radiation, and electron beams JSR CORPORATION (JP) 2003-11-27 US disclosed