SCHEMBL7745821

SCHEMBL7745821

O=C1/C(=N\OCCF)c2ccncc2N1Cc1nc2ccccc2n1CCCCO

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 3/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL8363984 0.92 CYP3A4 (0.39) CYP3A4MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7746706 0.91 CYP3A4 (0.40) CYP3A4MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7741398 0.89 CYP3A4 (0.50) CYP3A4MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7741391 0.89 CYP3A4 (0.37) CYP3A4
SCHEMBL7741750 0.85 CYP3A4 (0.44) CYP3A4MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7745795 0.84 MEN1 (0.43) CYP3A4MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7745843 0.82 CYP3A4 (0.38) CYP3A4MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8363985 0.81 CYP3A4 (0.40) CYP3A4MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7746259 0.77 CYP3A4 (0.35) CYP3A4MEN1KMT2ATSHR
SCHEMBL7748043 0.77 CYP3A4 (0.42) CYP3A4MEN1KMT2ASMN1; SMN2ALDH1A1

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