SCHEMBL7741750

SCHEMBL7741750

O=C1/C(=N\O)c2ccncc2N1Cc1nc2ccccc2n1CCCCF

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 3/20 0.35
TSHR P16473 2/20 0.35
PTK2B Q14289 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7745843 0.85 CYP3A4 (0.38) CYP3A4SMN1; SMN2TP53RAB9ANPC1
SCHEMBL7745821 0.85 CYP3A4 (0.48) CYP3A4SMN1; SMN2TP53RAB9ANPC1
SCHEMBL7741398 0.81 CYP3A4 (0.50) CYP3A4SMN1; SMN2TP53RAB9ANPC1
SCHEMBL8363984 0.81 CYP3A4 (0.39) CYP3A4SMN1; SMN2TP53RAB9ANPC1
SCHEMBL7746706 0.81 CYP3A4 (0.40) CYP3A4SMN1; SMN2TP53RAB9APOLB
SCHEMBL7741391 0.79 CYP3A4 (0.37) CYP3A4
SCHEMBL8363985 0.78 CYP3A4 (0.40) CYP3A4SMN1; SMN2TP53RAB9APOLB
SCHEMBL8363907 0.77 ALDH1A1 (0.43) SMN1; SMN2TP53RAB9ANPC1POLB
SCHEMBL7745578 0.77 TSHR (0.41) CYP3A4SMN1; SMN2TP53RAB9ANPC1
SCHEMBL7746271 0.77 TSHR (0.45) SMN1; SMN2TP53RAB9ANPC1POLB

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