SCHEMBL7745216

SCHEMBL7745216

CC(O)CCn1c(Cn2nc(I)c3ccccc32)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.42
AKR1B1 P15121 1/20 0.42
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
AGER Q15109 1/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 3/20 0.39
RECQL P46063 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7745460 0.92 TSHR (0.61) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL7740405 0.85 KDM4E (0.43) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL7745019 0.83 KDM4E (0.47) MAPK1KMT2ALMNAKDM4EAKR1B1
SCHEMBL7745467 0.82 TOP2A (0.49) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL7745824 0.82 MEN1 (0.40) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL8365513 0.81 TP53 (0.45) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL7745475 0.81 AKR1B1 (0.41) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL7740409 0.79 MEN1 (0.42) TSHRMEN1KMT2AAKR1B1POLB
SCHEMBL7747798 0.78 MEN1 (0.41) TSHRMEN1KMT2ALMNAKDM4E
SCHEMBL7745456 0.78 TSHR (0.61) TSHRMAPK1MEN1KMT2ALMNA

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