SCHEMBL11201920

SCHEMBL11201920

CCOP(=O)(Cc1cccc(S(=O)(=O)F)c1)OCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.42
CDK9 P50750 5/20 0.42
NPC1 O15118 1/20 0.40
TNF P01375 1/20 0.40
RAB9A P51151 1/20 0.40
NOD1 Q9Y239 1/20 0.40
HDAC1 Q13547 1/20 0.38
NPY5R Q15761 1/20 0.36
BTK Q06187 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CRBN Q96SW2 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3390402 0.82 CCNT1 (0.46) CCNT1CDK9HDAC1NPY5RTSHR
SCHEMBL11364588 0.81 F2 (0.43) CCNT1CDK9HDAC1NPY5RBTK
SCHEMBL4542812 0.78 IDO1 (0.43) CCNT1CDK9HDAC1NPY5RLMNA
SCHEMBL29938481 0.78 IDO1 (0.43) CCNT1CDK9HDAC1NPY5RLMNA
SCHEMBL5301923 0.78 POLB (0.45) CCNT1CDK9HDAC1NPY5RTSHR
SCHEMBL11408409 0.78 F2 (0.40) CCNT1CDK9NPC1RAB9AHDAC1
SCHEMBL1831290 0.76 IDO1 (0.44) CCNT1CDK9HDAC1LMNA
SCHEMBL29427115 0.76 IDO1 (0.44) CCNT1CDK9HDAC1LMNA
SCHEMBL11209538 0.75 F2 (0.38) CCNT1CDK9HDAC1NPY5RBTK
SCHEMBL1307260 0.75 IDO1 (0.43) CCNT1CDK9HDAC1LMNA

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
EP-0033827-B1 PREPARATION OF FLUORSULFONYL BENZYL PHOSPHONIC ACID ESTERS AND NEW FLUORSULFONYL BENZYL PHOSPHONIC ACID ESTERS BAYER AG (DE) 1983-05-11 EP disclosed
EP-0033827-A1 Preparation of fluorsulfonyl benzyl phosphonic acid esters and new fluorsulfonyl benzyl phosphonic acid esters BAYER AG (DE) 1981-08-19 EP disclosed