SCHEMBL7740409

SCHEMBL7740409

CS(=O)(=O)CCCn1c(Cn2nc(I)c3ccccc32)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 3/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
AKR1B1 P15121 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CXCR4 P61073 1/20 0.39
TLR8 Q9NR97 1/20 0.38
PTK2B Q14289 1/20 0.38

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
SCHEMBL7745475 0.93 AKR1B1 (0.41) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL8365513 0.80 TP53 (0.45) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7745019 0.80 KDM4E (0.47) KMT2AL3MBTL1POLBHPGDAKR1B1
SCHEMBL7747798 0.80 MEN1 (0.41) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7745467 0.80 TOP2A (0.49) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7745460 0.80 TSHR (0.61) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7740405 0.80 KDM4E (0.43) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7745824 0.80 MEN1 (0.40) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7745216 0.79 TSHR (0.50) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7745194 0.78 SMN1; SMN2 (0.59) MEN1KMT2ATSHRPOLBHPGD

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
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed