SCHEMBL7741673

SCHEMBL7741673

CO/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCCO)c2ncccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
TSHR P16473 5/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PTK2B Q14289 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7745795 0.89 MEN1 (0.43) CYP3A4MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7746216 0.88 MAPT (0.38) CYP3A4MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7745784 0.88 CYP3A4 (0.40) CYP3A4MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7745443 0.84 CYP3A4 (0.37) CYP3A4MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7741398 0.83 CYP3A4 (0.50) CYP3A4MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7741368 0.80 RAB9A (0.43) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL7745448 0.80 TSHR (0.35) MEN1KMT2ASMN1; SMN2TSHRPOLB
SCHEMBL7741649 0.79 RAB9A (0.40) MEN1KMT2ASMN1; SMN2TSHRPOLB
SCHEMBL7745971 0.78 TP53 (0.34) CYP3A4MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7741271 0.78 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2TSHRPOLB

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