SCHEMBL7745971

SCHEMBL7745971

N#CCCCn1c(CN2C(=O)/C(=N/OCCF)c3cccnc32)nc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 3/20 0.33
POLB P06746 2/20 0.33
PTK2B Q14289 1/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7746108 0.90 TSHR (0.33) TP53SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7745795 0.90 MEN1 (0.43) TP53SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7746216 0.89 MAPT (0.38) TP53SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7745448 0.87 TSHR (0.35) TP53SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7741271 0.86 SMN1; SMN2 (0.37) TP53SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7746104 0.85 TSHR (0.35) TP53SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7745784 0.80 CYP3A4 (0.40) TP53SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7741673 0.78 CYP3A4 (0.43) TP53SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL8366756 0.78 ALDH1A1 (0.38) TP53SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6499879 0.77 CNR2 (0.37)

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