SCHEMBL7740405

SCHEMBL7740405

C[N+](C)(C)CCn1c(Cn2nc(I)c3ccccc32)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
AKR1B1 P15121 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
PKM P14618 2/20 0.37

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
SCHEMBL7745216 0.85 TSHR (0.50) KDM4ETSHRPOLBMEN1KMT2A
SCHEMBL7745460 0.83 TSHR (0.61) KDM4ETSHRPOLBMEN1KMT2A
SCHEMBL7745824 0.83 MEN1 (0.40) KDM4ETSHRPOLBMEN1KMT2A
SCHEMBL7745467 0.83 TOP2A (0.49) KDM4ETSHRPOLBMEN1KMT2A
SCHEMBL7745475 0.81 AKR1B1 (0.41) KDM4ETSHRPOLBMEN1KMT2A
SCHEMBL7745019 0.81 KDM4E (0.47) KDM4EPOLBKMT2AL3MBTL1AKR1B1
SCHEMBL7740409 0.80 MEN1 (0.42) TSHRPOLBMEN1KMT2AL3MBTL1
SCHEMBL8365513 0.79 TP53 (0.45) KDM4ETSHRPOLBMEN1KMT2A
SCHEMBL7747798 0.79 MEN1 (0.41) KDM4ETSHRPOLBMEN1KMT2A
Iodide SCHEMBL5861908 0.78 TSHR (0.47) KDM4ETSHRPOLBMEN1KMT2A

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