SCHEMBL7740571

SCHEMBL7740571

CC(C)CCn1c(CN2C(=O)Cc3ccccc32)nc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3727049 0.85 TSHR (0.54) TSHRMAPK1TP53POLBMAPT
SCHEMBL3738360 0.84 TSHR (0.53) TSHRMAPK1TP53POLBMAPT
SCHEMBL7746872 0.83 TSHR (0.54) TSHRMAPK1TP53POLBMAPT
SCHEMBL6481692 0.83 KMT2A (0.45) TSHRPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL16163364 0.83 TSHR (0.51) TSHRMAPK1TP53POLBMAPT
SCHEMBL7741428 0.81 TSHR (0.52) TSHRMAPK1TP53POLBMAPT
SCHEMBL16163285 0.81 TSHR (0.49) TSHRMAPK1TP53POLBMAPT
SCHEMBL7745697 0.79 TSHR (0.64) TSHRMAPK1TP53POLBMAPT
SCHEMBL7740562 0.79 TSHR (0.57) TSHRMAPK1TP53POLBMAPT
SCHEMBL16163238 0.78 TSHR (0.53) TSHRMAPK1

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