SCHEMBL7741271

SCHEMBL7741271

N#CCCCn1c(CN2C(=O)C(=NO)c3cccnc32)nc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.37
TP53 P04637 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
TSHR P16473 2/20 0.37
PTK2B Q14289 1/20 0.37
POLB P06746 3/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7746216 0.89 MAPT (0.38) SMN1; SMN2TP53RAB9ANPC1TSHR
SCHEMBL8363907 0.87 ALDH1A1 (0.43) SMN1; SMN2TP53RAB9ANPC1TSHR
SCHEMBL7745971 0.86 TP53 (0.34) SMN1; SMN2TP53RAB9ANPC1TSHR
SCHEMBL7746104 0.85 TSHR (0.35) SMN1; SMN2TP53RAB9ANPC1TSHR
SCHEMBL7746108 0.85 TSHR (0.33) SMN1; SMN2TP53RAB9ANPC1TSHR
SCHEMBL7741368 0.83 RAB9A (0.43) SMN1; SMN2TP53RAB9ANPC1POLB
SCHEMBL7741673 0.78 CYP3A4 (0.43) SMN1; SMN2TP53RAB9ANPC1TSHR
SCHEMBL7745795 0.76 MEN1 (0.43) SMN1; SMN2TP53RAB9ANPC1TSHR
SCHEMBL7745784 0.75 CYP3A4 (0.40) SMN1; SMN2TP53RAB9ANPC1TSHR
SCHEMBL8363973 0.74 ALDH1A1 (0.38) SMN1; SMN2TP53TSHRPTK2BPOLB

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