SCHEMBL7741398

SCHEMBL7741398

CO/N=C1\C(=O)N(Cc2nc3ccccc3n2CCCCO)c2cnccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
PTK2B Q14289 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
SCHEMBL8363985 0.89 CYP3A4 (0.40) CYP3A4SMN1; SMN2MEN1KMT2APOLB
SCHEMBL7745821 0.89 CYP3A4 (0.48) CYP3A4SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL7741673 0.83 CYP3A4 (0.43) CYP3A4SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL7746706 0.82 CYP3A4 (0.40) CYP3A4SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL7741750 0.81 CYP3A4 (0.44) CYP3A4SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL7748043 0.81 CYP3A4 (0.42) CYP3A4SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL8363984 0.81 CYP3A4 (0.39) CYP3A4SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL7741391 0.80 CYP3A4 (0.37) CYP3A4
SCHEMBL7745843 0.79 CYP3A4 (0.38) CYP3A4SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL7746259 0.78 CYP3A4 (0.35) CYP3A4MEN1KMT2ATSHRPTK2B

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