SCHEMBL7745824

SCHEMBL7745824

CSCCn1c(Cn2nc(I)c3ccccc32)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 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
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL7745467 0.83 TOP2A (0.49) MEN1KMT2AKDM4EL3MBTL1USP2
SCHEMBL7745460 0.83 TSHR (0.61) MEN1KMT2AKDM4EL3MBTL1USP2
SCHEMBL7740405 0.83 KDM4E (0.43) MEN1KMT2AKDM4EL3MBTL1USP2
SCHEMBL7745216 0.82 TSHR (0.50) MEN1KMT2AKDM4EL3MBTL1USP2
SCHEMBL7745475 0.81 AKR1B1 (0.41) MEN1KMT2AKDM4EL3MBTL1USP2
SCHEMBL7745019 0.81 KDM4E (0.47) KMT2AKDM4EL3MBTL1AKR1B1GAA
SCHEMBL7740409 0.80 MEN1 (0.42) MEN1KMT2AL3MBTL1USP2AKR1B1
SCHEMBL7747798 0.79 MEN1 (0.41) MEN1KMT2AKDM4EL3MBTL1USP2
SCHEMBL8365513 0.79 TP53 (0.45) MEN1KMT2AKDM4EL3MBTL1USP2
SCHEMBL5858757 0.79 SLC9A1 (0.48) MEN1KMT2AKDM4EL3MBTL1USP2

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