SCHEMBL6595668

SCHEMBL6595668

O=S(=O)(NCCOCc1ccccc1)c1ccc(I)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
PRMT1 Q99873 2/20 0.51
POLB P06746 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
KEAP1 Q14145 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1395612 0.86 ALDH1A1 (0.72) ALDH1A1POLBMEN1HTTKMT2A
SCHEMBL4028724 0.79 ALDH1A1 (0.61) ALDH1A1HTTSIGMAR1TSHRGAA
SCHEMBL25281969 0.78 ALDH1A1 (0.59) ALDH1A1PRMT1MEN1HTTKMT2A
SCHEMBL18221849 0.78 ALDH1A1 (0.60) ALDH1A1MEN1HTTKMT2ATSHR
SCHEMBL12640166 0.78 ALDH1A1 (1.00) ALDH1A1MEN1HTTKMT2ATSHR
SCHEMBL1395602 0.78 ALDH1A1 (0.79) ALDH1A1MEN1HTTKMT2AGAA
SCHEMBL15522663 0.77 ALDH1A1 (0.62) ALDH1A1POLBMEN1HTTKMT2A
SCHEMBL6104693 0.77 ALDH1A1 (0.58) ALDH1A1POLBMEN1HTTKMT2A
SCHEMBL15581459 0.77 ALDH1A1 (0.62) ALDH1A1MEN1HTTKMT2ASIGMAR1
SCHEMBL4773112 0.76 ALDH1A1 (0.52) ALDH1A1POLBTAAR1HSD17B10MEN1

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
EP-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP disclosed