SCHEMBL7745820

SCHEMBL7745820

CN(C)CCn1c(CN2C(=S)c3cccc4cccc2c34)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
TOP2A P11388 1/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
RECQL P46063 1/20 0.36
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
RAD52 P43351 1/20 0.36
RCE1 Q9Y256 1/20 0.36
LMNA P02545 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
SCHEMBL7745816 0.88 HEXA (0.53) POLBHEXAHEXBTOP2ATSHR
SCHEMBL11373888 0.78 HEXA (0.57) POLBHEXAHEXBKDM4EALDH1A1
SCHEMBL7745712 0.78 PKM (0.48) POLBHEXAHEXBTOP2ATSHR
SCHEMBL7745462 0.78 POLB (0.46) POLBTOP2AALDH1A1LMNAMAPT
SCHEMBL7745469 0.75 HPGD (0.46) POLBTSHRKDM4EALDH1A1HPGD
SCHEMBL11369587 0.73 POLB (0.59) POLBHEXAHEXBTSHRKDM4E
SCHEMBL7745817 0.73 HPGD (0.49) POLBTSHRKDM4EALDH1A1HPGD
SCHEMBL7746704 0.72 TOP2A (0.55) POLBTOP2ATSHRKDM4EALDH1A1
SCHEMBL7740999 0.72 HTR2A (0.61) POLBTOP2ATSHRKDM4EALDH1A1
SCHEMBL7744925 0.71 POLB (0.47) POLBTOP2ATSHRKDM4EALDH1A1

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