SCHEMBL7746872

SCHEMBL7746872

CC(C)CCn1c(CN2C(=O)CSc3ccccc32)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
GFER P55789 1/20 0.50
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.44
CHRM1 P11229 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL7741461 0.83 TSHR (0.48) TSHRGFERALDH1A1HSD17B10CHRM1
SCHEMBL7740571 0.83 TSHR (0.56) TSHRMAPK1TP53POLBMAPT
SCHEMBL7741428 0.80 TSHR (0.52) TSHRMAPK1TP53POLBMAPT
SCHEMBL21169559 0.79 TSHR (0.53) TSHRGFERALDH1A1CHRM1LMNA
SCHEMBL7745697 0.78 TSHR (0.64) TSHRMAPK1ALDH1A1TP53POLB
SCHEMBL7740562 0.78 TSHR (0.57) TSHRMAPK1ALDH1A1CHRM1TP53
SCHEMBL3727049 0.77 TSHR (0.54) TSHRMAPK1TP53POLBMAPT
SCHEMBL16163238 0.76 TSHR (0.53) TSHRMAPK1
SCHEMBL3738360 0.76 TSHR (0.53) TSHRMAPK1TP53POLBMAPT
SCHEMBL7741104 0.76 TSHR (0.55) TSHRMAPK1ALDH1A1TP53POLB

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