SCHEMBL7741368

SCHEMBL7741368

CC(=O)OCCCCn1c(CN2C(=O)C(=NO)c3cccnc32)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 7/20 0.42
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 5/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 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
SCHEMBL7741649 0.88 RAB9A (0.40) RAB9AATMSMN1; SMN2LMNAPKM
SCHEMBL7741271 0.83 SMN1; SMN2 (0.37) RAB9ASMN1; SMN2LMNAMAPTTP53
SCHEMBL7741673 0.80 CYP3A4 (0.43) RAB9ASMN1; SMN2PKMNPSR1MAPT
SCHEMBL7745897 0.79 RAB9A (0.46) RAB9AATMSMN1; SMN2LMNAPKM
SCHEMBL7745795 0.78 MEN1 (0.43) RAB9AATMSMN1; SMN2LMNAPKM
SCHEMBL8363985 0.76 CYP3A4 (0.40) RAB9AATMSMN1; SMN2LMNAPKM
SCHEMBL7746216 0.76 MAPT (0.38) RAB9ASMN1; SMN2LMNAMAPTTP53
SCHEMBL7745784 0.75 CYP3A4 (0.40) RAB9ASMN1; SMN2LMNAPKMMAPT
SCHEMBL7746271 0.75 TSHR (0.45) RAB9ASMN1; SMN2LMNATP53NPC1
SCHEMBL7745448 0.74 TSHR (0.35) RAB9ASMN1; SMN2MAPTTP53NPC1

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