SCHEMBL7745475

SCHEMBL7745475

CS(=O)(=O)CCn1c(Cn2nc(I)c3ccccc32)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGER4 P35408 1/20 0.40
USP2 O75604 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 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
SCHEMBL7740409 0.93 MEN1 (0.42) AKR1B1CYP1A2CYP2C19USP2SMN1; SMN2
SCHEMBL7745019 0.82 KDM4E (0.47) AKR1B1SMN1; SMN2KMT2AKDM4EL3MBTL1
SCHEMBL7745460 0.81 TSHR (0.61) AKR1B1USP2SMN1; SMN2MEN1KMT2A
SCHEMBL7740405 0.81 KDM4E (0.43) AKR1B1USP2MEN1KMT2AKDM4E
SCHEMBL7745467 0.81 TOP2A (0.49) AKR1B1CYP1A2USP2MEN1KMT2A
SCHEMBL7745824 0.81 MEN1 (0.40) AKR1B1CYP1A2CYP2C19USP2MEN1
SCHEMBL7745216 0.81 TSHR (0.50) AKR1B1USP2SMN1; SMN2MEN1KMT2A
SCHEMBL5858779 0.80 SLC9A1 (0.46) CYP1A2CYP2C19USP2SMN1; SMN2MEN1
SCHEMBL8365513 0.77 TP53 (0.45) USP2SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7747798 0.77 MEN1 (0.41) AKR1B1USP2SMN1; SMN2MEN1KMT2A

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