SCHEMBL7741104

SCHEMBL7741104

CC(C)CCn1c(CN2C(=O)C(O)c3ccccc32)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL7745735 0.86 TSHR (0.49) TSHRMAPK1MAPTTP53POLB
SCHEMBL7741006 0.84 TSHR (0.47) TSHRMAPK1MAPTTP53POLB
SCHEMBL7745704 0.80 LMNA (0.43) TSHRMAPK1POLBMEN1LMNA
SCHEMBL7745801 0.80 TSHR (0.43) TSHRMAPK1MAPTMEN1LMNA
SCHEMBL2880216 0.79 TSHR (0.48) TSHRMAPK1MAPTTP53POLB
SCHEMBL7746011 0.79 GAA (0.49) TSHRMAPK1POLBSMN1; SMN2MEN1
SCHEMBL7745697 0.78 TSHR (0.64) TSHRMAPK1MAPTTP53POLB
SCHEMBL7745839 0.78 TSHR (0.52) TSHRMAPK1MAPTTP53POLB
SCHEMBL7740562 0.78 TSHR (0.57) TSHRMAPK1MAPTTP53POLB
SCHEMBL7740571 0.77 TSHR (0.56) TSHRMAPK1MAPTTP53POLB

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