SCHEMBL14735611

SCHEMBL14735611

CS(=O)(=O)c1cc(I)ccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.49
ERN1 O75460 4/20 0.46
CCR2 P41597 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
MCL1 Q07820 1/20 0.31
TYR P14679 2/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
CASP3 P42574 1/20 0.30

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
SCHEMBL4444489 0.78 ALDH1A1 (0.42) ERN1L3MBTL1ALDH1A1LMNAKMT2A
SCHEMBL12593470 0.78 SMN1; SMN2 (0.52) ERN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2600014 0.77 TDP1 (0.53) ERN1CCR2ALDH1A1TDP1MCL1
SCHEMBL1793926 0.77 ERN1 (0.46) ERN1CCR2ALDH1A1SMN1; SMN2
SCHEMBL6076943 0.77 KDM4E (0.41) ERN1CCR2ALDH1A1
SCHEMBL9185083 0.74 CYP2A6 (0.42) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL18254534 0.74 L3MBTL1 (0.44) RAD51CCR2L3MBTL1ALDH1A1TDP1
SCHEMBL122510 0.73 RAD51 (0.53) RAD51SMN1; SMN2CASP3
SCHEMBL4556987 0.73 ALOX5AP (0.41) L3MBTL1ALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL30487705 0.73 ALOX5AP (0.41) L3MBTL1ALDH1A1SMN1; SMN2MEN1LMNA

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-2565182-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2017-10-11 EP disclosed
EP-2565182-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2013-03-06 EP disclosed