SCHEMBL7747798

SCHEMBL7747798

[C-]#[N+]CCCn1c(Cn2nc(I)c3ccccc32)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 3/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
CXCR4 P61073 1/20 0.37
PTK2B Q14289 1/20 0.37
HPGD P15428 1/20 0.37
AKR1B1 P15121 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.36

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
SCHEMBL8365513 0.82 TP53 (0.45) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7740409 0.80 MEN1 (0.42) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7740405 0.79 KDM4E (0.43) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7745460 0.79 TSHR (0.61) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7745824 0.79 MEN1 (0.40) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7745467 0.79 TOP2A (0.49) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7745216 0.78 TSHR (0.50) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7745019 0.77 KDM4E (0.47) KMT2AL3MBTL1POLBSMN1; SMN2RAB9A
SCHEMBL7745475 0.77 AKR1B1 (0.41) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7744970 0.77 CTNNB1 (0.47) MEN1KMT2AUSP2L3MBTL1TSHR

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