SCHEMBL7745897

SCHEMBL7745897

CC(=O)OCCCCn1c(CN2C(=O)C(=O)c3ccccc32)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
TSHR P16473 1/20 0.41
PTK2B Q14289 1/20 0.41
POLB P06746 1/20 0.41
CES1 P23141 2/20 0.41
CDC25A P30304 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL7740965 0.85 TSHR (0.49) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL6480793 0.83 CES1 (0.45) PKMMEN1KMT2AALDH1A1ALDH2
SCHEMBL7741368 0.79 RAB9A (0.43) RAB9AATMLMNAPKMNPSR1
SCHEMBL8363985 0.79 CYP3A4 (0.40) RAB9AATMLMNAPKMNPSR1
SCHEMBL7745462 0.79 POLB (0.46) LMNAMAPTALDH1A1ALDH2ALDH3A1
SCHEMBL7740562 0.79 TSHR (0.57) LMNANPSR1SMN1; SMN2MAPTTP53
SCHEMBL7745980 0.78 RAB9A (0.54) RAB9AATMLMNAPKMNPSR1
SCHEMBL7746706 0.76 CYP3A4 (0.40) RAB9AATMLMNAPKMNPSR1
SCHEMBL7746271 0.75 TSHR (0.45) RAB9ALMNASMN1; SMN2TP53MEN1
SCHEMBL7741649 0.74 RAB9A (0.40) RAB9AATMLMNAPKMNPSR1

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